* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    204     414
    1     0 S   NP   _N1_     1    28.74873    93.71658   -20.35118
    2     1 S   H    _HN1     2     1.02771    88.77452   -66.19195
    3     1 S   H    _H1_     3     1.02964    97.31077    42.17584
    4     1 S   H    _H2_     4     1.02830    26.29697   156.13633
    5     1 S   CT   _CA1     5     1.50187   136.31628   172.02009
    6     5 S   HC   _HA1     6     1.09580   105.18067    51.57342
    7     5 S   CO3  _C1_     7     1.53767   112.38415   -68.39145
    8     7 S   O2Z  _O11     8     1.26344   114.98768   -40.98464
    9     7 S   O2Z  _O12     9     1.26243   114.91821   137.94351
   10     5 S   CT   _CB1    10     1.53058   107.32337   169.31706
   11    10 S   HC   HB11    11     1.09814   109.08968   -51.37620
   12    10 S   HC   HB12    12     1.09822   110.43174    65.03447
   13    10 S   CT   _CG1    13     1.53050   112.91005  -172.69126
   14    13 S   HC   HG11    14     1.09596   110.15360   -64.91310
   15    13 S   HC   HG12    15     1.09625   110.26698    54.33702
   16    13 S   C    _CD1    16     1.51849   112.08657   174.29535
   17    16 S   O    _OE1    17     1.22770   123.06821   -13.66624
   18    16 S   N    _N2_    18     1.38627   111.89157   167.19187
   19    18 S   H    _HN2    19     1.01586   119.13964     0.37378
   20    18 S   CT1  _CA2    20     1.46337   123.27774  -177.17548
   21    20 S   HC   _HA2    21     1.09742   109.22736   -14.50066
   22    20 S   C    _C2_    22     1.53393   108.64242  -130.24120
   23    22 S   O    _O2_    23     1.23021   122.24716  -148.00141
   24    20 S   CT   _CB2    32     1.53636   111.43287   107.34010
   25    24 S   HC   HB21    33     1.09419   109.16282    57.32281
   26    24 S   HC   HB22    34     1.09473   110.34921   176.21287
   27    22 S   N    _N3_    24     1.38519   113.39319    39.57035
   28    27 S   H    _HN3    25     1.01529   118.84875    -0.80891
   29    24 S   S    _SG2    35     1.82602   111.11981   -63.72493
   30    27 S   CT   _CA3    26     1.45432   123.45060   175.06827
   31    30 S   HC   HA31    27     1.09525   109.21937    24.80586
   32    30 S   HC   HA32    28     1.09496   107.13108   141.79849
   33    29 S   CT   _C8_    36     1.87680   101.11255   177.19921
   34    30 S   CO3  _C3_    29     1.52918   113.11549   -98.66299
   35    34 S   O2Z  _O31    30     1.26405   115.40812   -44.84780
   36    34 S   O2Z  _O32    31     1.26357   114.98647   136.10573
   37    33 S   CO4  _C7_    37     1.54419   108.03126   178.91124
   38    37 S   O    _O33    38     1.23280   122.34456   -21.37368
   39    33 S   OS   _O36    77     1.44255   110.72278    57.95956
   40    37 S   CM   _C6_    39     1.50599   118.36391   162.89113
   41    39 S   CT   _C11    78     1.42112   116.92149    69.92696
   42    41 S   HC   _H7_    79     1.09382   107.76940  -173.89889
   43    41 S   HC   _H8_    80     1.09337   110.97071    68.48890
   44    41 S   HC   _H9_    81     1.09270   111.98878   -55.30804
   45    40 S   CM   _C5_    40     1.34766   120.38912   -11.52289
   46    40 S   CT   _C12    50     1.51545   114.91081   166.91014
   47    46 S   HC   _H10    51     1.09581   110.96945  -150.35106
   48    46 S   HC   _H11    52     1.09400   109.76708   -36.69151
   49    45 S   CO4  _C10    41     1.50528   120.89004    -4.46528
   50    49 S   O    _O34    42     1.23462   119.56075   171.06031
   51    45 S   CT   _C4_    46     1.50518   125.21571   178.50590
   52    51 S   HC   _H4_    47     1.09584   110.45124   129.49402
   53    51 S   HC   _H5_    48     1.09209   113.64240    10.32159
   54    51 S   HC   _H6_    49     1.09497   110.10325  -110.79401
   55    46 S   CM   _C13    53     1.50519   111.51512    88.90339
   56    55 S   HC   _H12    54     1.09046   113.99776    65.33939
   57    33 S   CT   _C9_    43     1.55589   111.58922   -59.30588
   58    57 S   OM   _O35    44     1.32504   113.34789   -56.83343
   59    57 S   HC   _H3_    45     1.10117   106.15393    77.65132
   60    55 S   CM   _C14    55     1.34821   128.61277  -114.09116
   61    60 S   CT   _C15    56     1.50357   125.16126    -1.50129
   62    61 S   HC   _H13    57     1.09364   110.63167   117.23758
   63    61 S   HC   _H14    58     1.09135   113.67117    -3.47187
   64    61 S   HC   _H15    59     1.09530   110.00035  -123.20182
   65    60 S   CT   _C16    60     1.51826   119.51298   179.88297
   66    65 S   HC   _H16    61     1.09875   108.77933    37.43020
   67    65 S   HC   _H17    62     1.09769   110.02970   152.03604
   68    65 S   CT   _C17    63     1.53530   114.08748   -83.25868
   69    68 S   HC   _H18    64     1.09400   110.15293    54.54100
   70    68 S   HC   _H19    65     1.09788   108.01286   169.11841
   71    68 S   CM   _C18    66     1.50365   113.48089   -72.50214
   72    71 S   HC   _H20    67     1.08947   114.02060   -66.06790
   73    71 S   CM   _C19    68     1.34688   127.98767   115.40152
   74    73 S   CT   _C20    69     1.50562   120.47246   178.36278
   75    74 S   HC   _H21    70     1.09500   110.28779   119.71731
   76    74 S   HC   _H22    71     1.09506   112.41683    -0.39317
   77    74 S   HC   _H23    72     1.09474   110.24461  -120.46843
   78    73 S   CT   _C21    73     1.50248   125.29392    -2.18247
   79    78 S   HC   _H24    74     1.09461   110.17980   112.68637
   80    78 S   HC   _H25    75     1.09453   109.85194  -128.20620
   81    78 S   HC   _H26    76     1.09161   113.55381    -8.64668
  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
  15   2   1   1  14   5   9  14   4   2   1   1  13   9   4   3
   8   4   4   2   1   1  10   3   2   1   1  11   7   3   2   1
   8   5   4   7   4   3  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    57    58    59    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    49    50    57    58    59    46    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    49    57    58    59    51    46    47    48    55    39    41  
   40    45    57    46    39  
   41    42    43    44    40    49    57    58    59  
   45    49    50    57    51    52    53    54    46    47    48    55    56    60  
   42    43    44    57  
   43    44  
   44  
    0  
   49    50    57    58    59    51    52    53    54    46    47    48    55  
   47    48    55    56    60    61    65    49    51  
   48    55    56    60  
   55    56    60  
   50    57    58    59    51    52    53    54  
   57    58    59    51  
   52    53    54    57  
   53    54  
   54  
    0  
   56    60    61    62    63    64    65    66    67    68  
   60    61    65  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    68    69    70    71  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    57   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    46   317.000  1.510
   45    49   320.000  1.462
   45    51   317.000  1.510
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   570.000  1.307
   57    59   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   317.000  1.510
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   317.000  1.510
   60    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   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   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    57    49    63.00000  111.10000
   33    57    58    50.00000  109.50000
   33    57    59    37.50000  110.70000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    46    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    49    65.00000  118.96000
   40    45    51    70.00000  124.00000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    55    70.00000  110.12100
   45    49    50    80.00000  123.72100
   45    49    57    65.00000  118.62400
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    35.00000  109.50000
   49    57    58    90.00000  108.74100
   49    57    59    35.00000  109.50000
   57    33    37    63.00000  111.10000
   57    49    50    80.00000  120.40000
   59    57    58    45.00000  125.66300
   51    45    49    65.00000  116.34900
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   46    40    45    70.00000  124.00000
   46    55    56    35.00000  117.00000
   46    55    60    70.00000  124.00000
   48    46    47    33.00000  107.80000
   55    46    47    35.00000  109.50000
   55    46    48    35.00000  109.50000
   55    60    61    70.00000  124.00000
   55    60    65    70.00000  124.00000
   60    55    56    35.00000  120.00000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    35.00000  109.50000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    60    61    65.00000  117.92700
   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    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    57    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    57    49   0.56750  1.0 1.0
   29    33    57    49  -0.07550 -1.0 2.0
   29    33    57    49   0.20000  1.0 3.0
   29    33    57    58   0.56750  1.0 1.0
   29    33    57    58  -0.07550 -1.0 2.0
   29    33    57    58   0.20000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    46   0.25700  1.0 1.0
   33    37    40    46   0.66200 -1.0 2.0
   33    37    40    46   0.04450  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    57    49   0.11950  1.0 1.0
   37    33    57    49   0.20300 -1.0 2.0
   37    33    57    49  -0.70800  1.0 3.0
   37    33    57    58  -0.09450  1.0 1.0
   37    33    57    58  -1.12950 -1.0 2.0
   37    33    57    58   0.54000  1.0 3.0
   37    33    57    59  -0.11250  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    49   7.00000 -1.0 2.0
   37    40    45    51   7.00000 -1.0 2.0
   37    40    46    47   0.15000  1.0 3.0
   37    40    46    48   0.15000  1.0 3.0
   37    40    46    55   0.09700  1.0 1.0
   37    40    46    55   0.15600 -1.0 2.0
   37    40    46    55  -0.50800  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    46  -0.64400  1.0 1.0
   38    37    40    46   0.26850 -1.0 2.0
   40    45    49    50   1.00000 -1.0 2.0
   40    45    49    57  -0.33500  1.0 1.0
   40    45    49    57   1.06600 -1.0 2.0
   40    45    49    57  -0.14000  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53   0.00000  1.0 1.0
   40    45    51    54   0.00000  1.0 1.0
   40    46    55    56   0.00000  1.0 1.0
   40    46    55    60  -0.28300  1.0 1.0
   40    46    55    60   0.26700 -1.0 2.0
   40    46    55    60  -0.63300  1.0 3.0
   45    40    46    47   0.00000  1.0 1.0
   45    40    46    48   0.00000  1.0 1.0
   45    40    46    55  -0.28300  1.0 1.0
   45    40    46    55   0.26700 -1.0 2.0
   45    40    46    55  -0.63300  1.0 3.0
   45    49   -57    33   0.65300  1.0 1.0
   45    49   -57    33  -0.03850 -1.0 2.0
   45    49   -57    33   0.33900  1.0 3.0
   45    49    57    58   0.65300  1.0 1.0
   45    49    57    58  -0.03850 -1.0 2.0
   45    49    57    58   0.33900  1.0 3.0
   45    49    57    59   0.00000  1.0 1.0
   49    45    51    52   0.15000  1.0 3.0
   49    45    51    53   0.15000  1.0 3.0
   49    45    51    54   0.15000  1.0 3.0
   50    49    57    33   0.30150 -1.0 2.0
   50    49    57    58   0.30150 -1.0 2.0
   50    49    57    59   0.00000  1.0 1.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    40   0.65300  1.0 1.0
   57    33   -37    40  -0.03850 -1.0 2.0
   57    33   -37    40   0.33900  1.0 3.0
   57    33    39    41   0.06250  1.0 1.0
   57    33    39    41  -0.01100 -1.0 2.0
   57    33    39    41   0.28050  1.0 3.0
   51    45    49    50  -0.64400  1.0 1.0
   51    45    49    50   0.26850 -1.0 2.0
   51    45    49    57   0.25700  1.0 1.0
   51    45    49    57   0.66200 -1.0 2.0
   51    45    49    57   0.04450  1.0 3.0
   46    40    45    49   7.00000 -1.0 2.0
   46    40    45    51   7.00000 -1.0 2.0
   46    55    60    61   7.00000 -1.0 2.0
   46    55    60    65   7.00000 -1.0 2.0
   47    46    55    56   0.33100  1.0 3.0
   47    46    55    60   0.00000  1.0 1.0
   48    46    55    56   0.33100  1.0 3.0
   48    46    55    60   0.00000  1.0 1.0
   55    60    61    62   0.00000  1.0 1.0
   55    60    61    63   0.00000  1.0 1.0
   55    60    61    64   0.00000  1.0 1.0
   55    60    65    66   0.00000  1.0 1.0
   55    60    65    67   0.00000  1.0 1.0
   55    60    65    68   0.09850  1.0 1.0
   55    60    65    68   0.15250 -1.0 2.0
   55    60    65    68  -0.50650  1.0 3.0
   56    55    60    61   7.00000 -1.0 2.0
   56    55    60    65   7.00000 -1.0 2.0
   60    65    68    69   0.15000  1.0 3.0
   60    65    68    70   0.15000  1.0 3.0
   60    65    68    71   0.31000  1.0 1.0
   60    65    68    71   0.14700 -1.0 2.0
   60    65    68    71   0.07550  1.0 3.0
   61    60    65    66   0.34800  1.0 3.0
   61    60    65    67   0.34800  1.0 3.0
   61    60    65    68   0.46850  1.0 1.0
   61    60    65    68   0.08550 -1.0 2.0
   61    60    65    68   0.09800  1.0 3.0
   65    60    61    62   0.34800  1.0 3.0
   65    60    61    63   0.34800  1.0 3.0
   65    60    61    64   0.34800  1.0 3.0
   65    68    71    72   0.00000  1.0 1.0
   65    68    71    73   0.09850  1.0 1.0
   65    68    71    73   0.15250 -1.0 2.0
   65    68    71    73  -0.50650  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    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    57    49  -0.09450  1.0 1.0
   39    33    57    49  -1.12950 -1.0 2.0
   39    33    57    49   0.54000  1.0 3.0
   39    33    57    58   1.11900  1.0 1.0
   39    33    57    58  -1.16350 -1.0 2.0
   39    33    57    58  -0.34150  1.0 3.0
   39    33    57    59   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    46    40    45   1.10000 -1.0 2.0
   49    51    45    40   1.10000 -1.0 2.0
   45    57    49    50  10.50000 -1.0 2.0
   46    56    55    60  15.00000 -1.0 2.0
   61    65    60    55  15.00000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
