* LIGAND DATABASE FILE (OPLS2005)
*
001      85    84    155    226     456
    1     0 S   NP   _N1_     1    31.95816    87.34883   -18.65811
    2     1 S   H    _HN1     2     1.02689    99.54455   -47.79741
    3     1 S   H    _H1_     3     1.03452   150.41377   104.69924
    4     1 S   H    _H2_     4     1.03168    51.99052    57.20435
    5     1 S   CT   _CA1     5     1.50253    68.53506  -158.32853
    6     5 S   HC   _HA1     6     1.09673   104.88346    42.83517
    7     5 S   CO3  _C1_     7     1.54413   111.38470   -73.69284
    8     7 S   O2Z  _O11     8     1.26116   116.66446  -110.09939
    9     7 S   O2Z  _O12     9     1.26551   113.92476    69.56875
   10     5 S   CT   _CB1    10     1.53066   106.90705   158.99300
   11    10 S   HC   HB11    11     1.09857   109.99165   -46.04823
   12    10 S   HC   HB12    12     1.09593   109.64241    69.69459
   13    10 S   CT   _CG1    13     1.53226   113.26986  -166.98323
   14    13 S   HC   HG11    14     1.09494   111.99434   -47.41660
   15    13 S   HC   HG12    15     1.09573   110.50389    71.77622
   16    13 S   C    _CD1    16     1.51572   109.65591  -168.30300
   17    16 S   O    _OE1    17     1.22807   121.93735   -96.78244
   18    16 S   N    _N2_    18     1.38387   112.53631    80.60484
   19    18 S   H    _HN2    19     1.01627   118.85605     8.67985
   20    18 S   CT1  _CA2    20     1.45957   123.46053  -173.17453
   21    20 S   HC   _HA2    21     1.09727   108.77626    17.80079
   22    20 S   C    _C2_    22     1.52767   107.81842   -99.71921
   23    22 S   O    _O2_    23     1.22929   123.00631   -23.49641
   24    20 S   CT   _CB2    32     1.53470   111.79399   140.07026
   25    24 S   HC   HB21    33     1.09306   109.99198    63.67753
   26    24 S   HC   HB22    34     1.09505   110.78858  -178.40406
   27    22 S   N    _N3_    24     1.38649   112.30620   159.46188
   28    27 S   H    _HN3    25     1.01492   119.71021     0.28804
   29    24 S   S    _SG2    35     1.81903   110.80554   -58.31947
   30    27 S   CT   _CA3    26     1.45433   122.79462   174.27642
   31    30 S   HC   HA31    27     1.09539   108.91114    31.38916
   32    30 S   HC   HA32    28     1.09476   107.18917   148.55627
   33    29 S   OS   _O36    36     1.66628   100.59091   156.40569
   34    30 S   CO3  _C3_    29     1.53112   113.62303   -91.53280
   35    34 S   O2Z  _O31    30     1.26375   115.88945   -29.76202
   36    34 S   O2Z  _O32    31     1.26423   114.63649   151.11959
   37    33 S   CT   _C12    37     1.44161   119.58378  -100.52021
   38    37 S   CT   _C13    38     1.54508   110.08355    70.31888
   39    38 S   HC   _H20    39     1.09449   111.23238   -71.06033
   40    38 S   HC   _H21    40     1.09557   111.38960   169.23797
   41    38 S   HC   _H22    41     1.09357   111.95494    47.74251
   42    37 S   CT   _C11    42     1.56317   106.94371  -171.61236
   43    42 S   HC   _H18    43     1.09882   108.13858   172.20520
   44    42 S   HC   _H19    44     1.09697   109.12988    56.81829
   45    37 S   CT   _C14    65     1.56538   114.07640   -50.58526
   46    45 S   HC   _H23    66     1.09806   105.93523   169.98973
   47    45 S   HC   _H24    67     1.09401   108.76145    57.22817
   48    42 S   CT   _C8_    45     1.55455   117.59920   -65.51955
   49    48 S   HC   _H3_    46     1.09706   108.33881   -59.88774
   50    45 S   CT   _C15    68     1.56379   120.61325   -69.05860
   51    50 S   HC   _H4_    69     1.10030   105.74331   -66.64114
   52    48 S   CM   _C7_    47     1.51074   112.17577    61.56598
   53    52 S   HC   _H12    48     1.08784   116.84709    59.60082
   54    48 S   CT   _C9_    58     1.54618   109.06380  -175.91213
   55    54 S   HC   _H13    59     1.09745   110.32807   -64.30033
   56    54 S   HC   _H14    60     1.09727   109.15054    52.56667
   57    50 S   CT   _C16    70     1.55158   113.85362    49.44669
   58    57 S   HC   _H25    71     1.09518   110.67217    63.06492
   59    57 S   HC   _H26    72     1.09324   109.93589   -54.58781
   60    50 S   CT   _C18    77     1.58994   112.53383   178.82231
   61    60 S   OM   _O35    78     1.32621   109.12894   -65.77582
   62    60 S   HC   _H5_    79     1.09975   104.99054   165.76224
   63    52 S   CM   _C6_    49     1.34208   123.82065  -119.76372
   64    63 S   HC   _H11    50     1.08735   119.48516    -0.00000
   65    54 S   CT   _C10    61     1.52432   113.50206   172.99031
   66    65 S   HC   _H15    62     1.09461   110.98366   -55.89667
   67    65 S   HC   _H16    63     1.09413   111.67276    65.28649
   68    65 S   HC   _H17    64     1.09481   109.98659  -175.32274
   69    57 S   CT   _C17    73     1.52477   113.93453  -174.07725
   70    69 S   HC   _H27    74     1.09446   111.05515    52.88052
   71    69 S   HC   _H28    75     1.09503   109.90376   172.27770
   72    69 S   HC   _H29    76     1.09360   111.78545   -68.69758
   73    60 S   CT   _C19    80     1.55152   111.49667    53.11622
   74    73 S   HC   _H30    81     1.09840   112.45939   -67.52910
   75    73 S   HC   _H31    82     1.09871   109.20597    49.86917
   76    63 S   CT   _C5_    51     1.49961   123.86825   178.68062
   77    76 S   HC   _H9_    52     1.09573   108.70403  -120.07155
   78    76 S   HC   _H10    53     1.09617   111.08440    -2.67584
   79    73 S   CO3  _C20    83     1.53767   113.66478   168.86422
   80    79 S   O2Z  _O34    84     1.26586   114.91762   112.37354
   81    79 S   O2Z  _O33    85     1.26367   115.43393   -69.00010
   82    76 S   CT   _C4_    54     1.52041   111.37544   119.34785
   83    82 S   HC   _H6_    55     1.09530   111.16599   -60.94079
   84    82 S   HC   _H7_    56     1.09470   110.19202   179.31672
   85    82 S   HC   _H8_    57     1.09534   111.24425    59.65415
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  13   2   1   1  18  11   4   3   2  15   6   5  13   5   4  13
   7  15   8  11   4   7   5   4  10   6   5   9   5   4   8   4
   3   2   1   1   3   2   1   1   5   4   3   6   5   4   2   1
   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    48    45    46    47    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    48    49    52    54    45    46    47    50    51    57    60  
   39    40    41    42    43    44    48    45    46    47    50  
   40    41    42    45  
   41    42    45  
   42    45  
   43    44    48    49    52    53    63    54    55    56    65    45    46    47    50  
   44    48    49    52    54    45  
   48    49    52    54    45  
   46    47    50    51    57    58    59    69    60    61    62    73    48  
   47    50    51    57    60  
   50    51    57    60  
   49    52    53    63    64    76    54    55    56    65    66    67    68  
   52    53    63    54    55    56    65  
   51    57    58    59    69    70    71    72    60    61    62    73    74    75    79  
   57    58    59    69    60    61    62    73  
   53    63    64    76    77    78    82    54    55    56    65  
   63    64    76    54  
   55    56    65    66    67    68    63  
   56    65    66    67    68  
   65    66    67    68  
   58    59    69    70    71    72    60    61    62    73  
   59    69    70    71    72    60  
   69    70    71    72    60  
   61    62    73    74    75    79    80    81    69  
   62    73    74    75    79  
   73    74    75    79  
   64    76    77    78    82    83    84    85  
   76    77    78    82  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74    75    79    80    81  
   75    79    80    81  
   79    80    81  
   77    78    82    83    84    85  
   78    82    83    84    85  
   82    83    84    85  
   80    81  
   81  
    0  
   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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   62   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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   655.000  1.490
   33    37   320.000  1.410
   37    38   268.000  1.529
   37    42   268.000  1.529
   37    45   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    52   317.000  1.510
   48    54   268.000  1.529
   52    53   340.000  1.080
   52    63   549.000  1.340
   63    64   340.000  1.080
   63    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   60    61   570.000  1.307
   60    62   340.000  1.090
   60    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   317.000  1.522
   79    80   656.000  1.250
   79    81   656.000  1.250
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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    50.00000  109.50000
   33    37    42    50.00000  109.50000
   33    37    45    50.00000  109.50000
   37    38    39    37.50000  110.70000
   37    38    40    37.50000  110.70000
   37    38    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    37    38    58.35000  112.70000
   42    48    49    37.50000  110.70000
   42    48    52    70.00000  112.02700
   42    48    54    58.35000  112.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    63    70.00000  124.00000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    65    58.35000  112.70000
   52    48    49    35.00000  109.50000
   52    63    64    35.00000  120.00000
   52    63    76    70.00000  124.00000
   63    52    53    35.00000  120.00000
   63    76    77    35.00000  109.50000
   63    76    78    35.00000  109.50000
   63    76    82    70.00000  112.02700
   76    63    64    35.00000  117.00000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    37.50000  110.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    52    70.00000  112.02700
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   56    54    55    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    56    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    37    38    58.35000  112.70000
   45    37    42    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    57    58.35000  112.70000
   45    50    60    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    69    58.35000  112.70000
   50    60    61    50.00000  109.50000
   50    60    62    37.50000  110.70000
   50    60    73    58.35000  112.70000
   57    50    51    37.50000  110.70000
   57    69    70    37.50000  110.70000
   57    69    71    37.50000  110.70000
   57    69    72    37.50000  110.70000
   59    57    58    33.00000  107.80000
   69    57    58    37.50000  110.70000
   69    57    59    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    57    58.35000  112.70000
   60    73    74    37.50000  110.70000
   60    73    75    37.50000  110.70000
   60    73    79    70.00000  109.69300
   62    60    61    45.00000  125.66300
   73    60    61    50.00000  109.50000
   73    60    62    37.50000  110.70000
   73    79    80    70.00000  117.00000
   73    79    81    70.00000  117.00000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   81    79    80    80.00000  126.00000
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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    42   0.37500  1.0 3.0
   29    33    37    45   0.37500  1.0 3.0
   33    37    38    39   0.23400  1.0 3.0
   33    37    38    40   0.23400  1.0 3.0
   33    37    38    41   0.23400  1.0 3.0
   33    37    42    43   0.23400  1.0 3.0
   33    37    42    44   0.23400  1.0 3.0
   33    37    42    48   0.62750  1.0 1.0
   33    37    42    48  -0.30950 -1.0 2.0
   33    37    42    48   0.27300  1.0 3.0
   33    37    45    46   0.23400  1.0 3.0
   33    37    45    47   0.23400  1.0 3.0
   33    37    45    50   0.62750  1.0 1.0
   33    37    45    50  -0.30950 -1.0 2.0
   33    37    45    50   0.27300  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42    48    52   0.34400  1.0 1.0
   37    42    48    52   0.09450 -1.0 2.0
   37    42    48    52   0.11100  1.0 3.0
   37    42    48    54   0.56750  1.0 1.0
   37    42    48    54  -0.07550 -1.0 2.0
   37    42    48    54   0.20000  1.0 3.0
   37    45    50    51   0.15000  1.0 3.0
   37    45    50    57   0.56750  1.0 1.0
   37    45    50    57  -0.07550 -1.0 2.0
   37    45    50    57   0.20000  1.0 3.0
   37    45    50    60   0.56750  1.0 1.0
   37    45    50    60  -0.07550 -1.0 2.0
   37    45    50    60   0.20000  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    48   0.56750  1.0 1.0
   38    37    42    48  -0.07550 -1.0 2.0
   38    37    42    48   0.20000  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    50   0.56750  1.0 1.0
   38    37    45    50  -0.07550 -1.0 2.0
   38    37    45    50   0.20000  1.0 3.0
   42    37    38    39   0.15000  1.0 3.0
   42    37    38    40   0.15000  1.0 3.0
   42    37    38    41   0.15000  1.0 3.0
   42    37    45    46   0.15000  1.0 3.0
   42    37    45    47   0.15000  1.0 3.0
   42    37    45    50   0.56750  1.0 1.0
   42    37    45    50  -0.07550 -1.0 2.0
   42    37    45    50   0.20000  1.0 3.0
   42    48    52    53   0.00000  1.0 1.0
   42    48    52    63   0.09850  1.0 1.0
   42    48    52    63   0.15250 -1.0 2.0
   42    48    52    63  -0.50650  1.0 3.0
   42    48    54    55   0.15000  1.0 3.0
   42    48    54    56   0.15000  1.0 3.0
   42    48    54    65   0.56750  1.0 1.0
   42    48    54    65  -0.07550 -1.0 2.0
   42    48    54    65   0.20000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    52   0.15000  1.0 3.0
   43    42    48    54   0.15000  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    52   0.15000  1.0 3.0
   44    42    48    54   0.15000  1.0 3.0
   48    52    63    64   7.00000 -1.0 2.0
   48    52    63    76   7.00000 -1.0 2.0
   48    54    65    66   0.15000  1.0 3.0
   48    54    65    67   0.15000  1.0 3.0
   48    54    65    68   0.15000  1.0 3.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    63   0.00000  1.0 1.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    65   0.15000  1.0 3.0
   52    48    54    55   0.15000  1.0 3.0
   52    48    54    56   0.15000  1.0 3.0
   52    48    54    65   0.34400  1.0 1.0
   52    48    54    65   0.09450 -1.0 2.0
   52    48    54    65   0.11100  1.0 3.0
   52    63    76    77   0.00000  1.0 1.0
   52    63    76    78   0.00000  1.0 1.0
   52    63    76    82   0.09850  1.0 1.0
   52    63    76    82   0.15250 -1.0 2.0
   52    63    76    82  -0.50650  1.0 3.0
   53    52    63    64   7.00000 -1.0 2.0
   53    52    63    76   7.00000 -1.0 2.0
   63    76    82    83   0.15000  1.0 3.0
   63    76    82    84   0.15000  1.0 3.0
   63    76    82    85   0.15000  1.0 3.0
   64    63    76    77   0.33100  1.0 3.0
   64    63    76    78   0.33100  1.0 3.0
   64    63    76    82   0.00000  1.0 1.0
   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
   54    48    52    53   0.00000  1.0 1.0
   54    48    52    63   0.09850  1.0 1.0
   54    48    52    63   0.15250 -1.0 2.0
   54    48    52    63  -0.50650  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   56    54    65    66   0.15000  1.0 3.0
   56    54    65    67   0.15000  1.0 3.0
   56    54    65    68   0.15000  1.0 3.0
   45    37    38    39   0.15000  1.0 3.0
   45    37    38    40   0.15000  1.0 3.0
   45    37    38    41   0.15000  1.0 3.0
   45    37    42    43   0.15000  1.0 3.0
   45    37    42    44   0.15000  1.0 3.0
   45    37    42    48   0.56750  1.0 1.0
   45    37    42    48  -0.07550 -1.0 2.0
   45    37    42    48   0.20000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    69   0.56750  1.0 1.0
   45    50    57    69  -0.07550 -1.0 2.0
   45    50    57    69   0.20000  1.0 3.0
   45    50    60    61   0.62750  1.0 1.0
   45    50    60    61  -0.30950 -1.0 2.0
   45    50    60    61   0.27300  1.0 3.0
   45    50    60    62   0.15000  1.0 3.0
   45    50    60    73   0.56750  1.0 1.0
   45    50    60    73  -0.07550 -1.0 2.0
   45    50    60    73   0.20000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   46    45    50    60   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   47    45    50    60   0.15000  1.0 3.0
   50    57    69    70   0.15000  1.0 3.0
   50    57    69    71   0.15000  1.0 3.0
   50    57    69    72   0.15000  1.0 3.0
   50    60    73    74   0.15000  1.0 3.0
   50    60    73    75   0.15000  1.0 3.0
   50    60    73    79  -1.63150  1.0 1.0
   50    60    73    79  -0.43550 -1.0 2.0
   50    60    73    79   0.24500  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    69   0.15000  1.0 3.0
   51    50    60    61   0.23400  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    73   0.15000  1.0 3.0
   57    50    60    61   0.62750  1.0 1.0
   57    50    60    61  -0.30950 -1.0 2.0
   57    50    60    61   0.27300  1.0 3.0
   57    50    60    62   0.15000  1.0 3.0
   57    50    60    73   0.56750  1.0 1.0
   57    50    60    73  -0.07550 -1.0 2.0
   57    50    60    73   0.20000  1.0 3.0
   58    57    69    70   0.15000  1.0 3.0
   58    57    69    71   0.15000  1.0 3.0
   58    57    69    72   0.15000  1.0 3.0
   59    57    69    70   0.15000  1.0 3.0
   59    57    69    71   0.15000  1.0 3.0
   59    57    69    72   0.15000  1.0 3.0
   60    50    57    58   0.15000  1.0 3.0
   60    50    57    59   0.15000  1.0 3.0
   60    50    57    69   0.56750  1.0 1.0
   60    50    57    69  -0.07550 -1.0 2.0
   60    50    57    69   0.20000  1.0 3.0
   60    73    79    80   0.41150 -1.0 2.0
   60    73    79    81   0.41150 -1.0 2.0
   61    60    73    74   0.23400  1.0 3.0
   61    60    73    75   0.23400  1.0 3.0
   61    60    73    79  -3.35100  1.0 1.0
   61    60    73    79  -0.37050 -1.0 2.0
   61    60    73    79   0.22400  1.0 3.0
   62    60    73    74   0.15000  1.0 3.0
   62    60    73    75   0.15000  1.0 3.0
   62    60    73    79  -0.11250  1.0 3.0
   74    73    79    80   0.00000  1.0 1.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.00000  1.0 1.0
   75    73    79    81   0.00000  1.0 1.0
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
   48    53    52    63  15.00000 -1.0 2.0
   76    64    63    52  15.00000 -1.0 2.0
   80    73    79    81  10.50000 -1.0 2.0
END
