* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    243     447
    1     0 S   NP   _N1_     1    28.79724    93.67575   -20.74633
    2     1 S   H    _HN1     2     1.02956   102.31613    29.09224
    3     1 S   H    _H1_     3     1.02848    31.34923   131.76485
    4     1 S   H    _H2_     4     1.02791    80.47198   -77.66685
    5     1 S   CT   _CA1     5     1.50027   137.64121   169.75249
    6     5 S   HC   _HA1     6     1.09547   105.44200    39.40349
    7     5 S   CO3  _C1_     7     1.53955   112.26710   -81.44767
    8     7 S   O2Z  _O11     8     1.26399   115.10157   -47.02745
    9     7 S   O2Z  _O12     9     1.26214   115.06306   132.76153
   10     5 S   CT   _CB1    10     1.53144   107.55111   157.82197
   11    10 S   HC   HB11    11     1.09812   110.04732   -46.91113
   12    10 S   HC   HB12    12     1.09837   110.02939    69.70922
   13    10 S   CT   _CG1    13     1.53084   112.48402  -167.87377
   14    13 S   HC   HG11    14     1.09400   110.51949   -48.15455
   15    13 S   HC   HG12    15     1.09591   110.23217    70.78472
   16    13 S   C    _CD1    16     1.51686   111.76841  -168.79607
   17    16 S   O    _OE1    17     1.22753   122.94529   -19.76733
   18    16 S   N    _N2_    18     1.38601   111.95354   160.47719
   19    18 S   H    _HN2    19     1.01574   119.27217     3.26776
   20    18 S   CT1  _CA2    20     1.46153   123.12685  -175.51874
   21    20 S   HC   _HA2    21     1.09728   109.36453   -12.68242
   22    20 S   C    _C2_    22     1.53357   108.39669  -128.61140
   23    22 S   O    _O2_    23     1.23005   122.20786  -145.06279
   24    20 S   CT   _CB2    32     1.53743   111.52605   109.12816
   25    24 S   HC   HB21    33     1.09084   109.35169    60.63715
   26    24 S   HC   HB22    34     1.09404   109.23472   178.66705
   27    22 S   N    _N3_    24     1.38490   113.35251    42.12185
   28    27 S   H    _HN3    25     1.01529   118.93500    -0.35827
   29    24 S   S    _SG2    35     1.83032   111.53807   -61.73654
   30    27 S   CT   _CA3    26     1.45455   123.44563   175.26199
   31    30 S   HC   HA31    27     1.09523   109.24273    24.00084
   32    30 S   HC   HA32    28     1.09495   107.10792   141.00858
   33    29 S   CT   _C14    36     1.90436   104.09741   165.50019
   34    30 S   CO3  _C3_    29     1.52930   113.16138   -99.48404
   35    34 S   O2Z  _O31    30     1.26399   115.43233   -43.45274
   36    34 S   O2Z  _O32    31     1.26359   114.96359   137.51092
   37    33 S   CT   _C15    37     1.53862   109.33544    39.42931
   38    37 S   HC   _H18    38     1.09403   111.34220   -65.39183
   39    37 S   HC   _H19    39     1.09570   110.34543   176.00404
   40    33 S   CT   _C7_    71     1.62069   112.92733   -87.91500
   41    37 S   CO4  _C16    40     1.50804   115.87753    58.88262
   42    41 S   O    _O34    41     1.22830   121.36700  -147.20229
   43    41 S   OS   _O35    42     1.35022   116.90479    38.81229
   44    43 S   CT   _C17    43     1.43965   123.51232   -20.73358
   45    44 S   HC   _H20    44     1.09565   107.20769  -102.05860
   46    44 S   HC   _H21    45     1.09633   106.53746   144.73161
   47    33 S   CT   _C13    46     1.55760   107.00957   151.14944
   48    47 S   HC   _H5_    47     1.10026   107.25605  -175.00590
   49    47 S   CT   _C12    48     1.53059   113.41543    66.96976
   50    49 S   HC   _H16    49     1.09542   111.65421   -62.80997
   51    49 S   HC   _H17    50     1.09732   109.61530  -179.76761
   52    49 S   CT   _C11    51     1.50833   110.90492    60.50963
   53    52 S   HC   _H14    52     1.09609   110.36733    66.06957
   54    52 S   HC   _H15    53     1.09502   111.87319  -173.68705
   55    52 S   NP   _N4_    54     1.48493   112.19482   -52.29793
   56    55 S   H    _H4_    55     1.02901   103.20346   163.11822
   57    55 S   CT   _C10    56     1.51870   118.19715   -85.33046
   58    57 S   HC   _H12    57     1.09244   109.55934    42.56340
   59    57 S   HC   _H13    58     1.09349   106.90984   -77.50269
   60    57 S   CM   _C9_    59     1.49594   103.90993   163.72673
   61    60 S   HC   _H11    60     1.08075   123.36282   158.42380
   62    60 S   CM   _C8_    61     1.34206   110.67780   -13.80446
   63    62 S   CM   _C18    62     1.43258   126.20134   167.16551
   64    63 S   HC   _H22    63     1.08532   119.06091    23.17046
   65    63 S   CM   _C19    64     1.33940   120.56828  -153.95127
   66    65 S   HC   _H23    65     1.08727   118.83811   179.85196
   67    65 S   CT   _C5_    66     1.50666   123.90659     1.23938
   68    67 S   HC   _H3_    67     1.09400   106.97392  -114.99869
   69    67 S   CT   _C6_    68     1.55140   113.69050     8.39906
   70    69 S   HC   _H9_    69     1.10046   106.86773    87.52752
   71    69 S   HC   _H10    70     1.09624   109.71300  -160.13761
   72    67 S   OS   _O33    72     1.43488   106.90005   129.28774
   73    72 S   CT   _C4_    73     1.42201   113.26357   156.73620
   74    73 S   HC   _H6_    74     1.09338   108.18403  -178.74742
   75    73 S   HC   _H7_    75     1.09335   110.96142    62.48840
   76    73 S   HC   _H8_    76     1.09416   110.55137   -60.12698
  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  13   5   4   3
  26   2   1   1  13   6   5  25   6   2   6   8   4   3  10   4
   8   5   4  10   4   3  12   6   7   4   3   6   2   8   7   3
   8   4   9   5   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    44    47    48    49    55    62    69    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    43    44    45    46    47    48    49    50    51    52    55    56    57    60    62    63    67    69    70    71    40  
   35    36  
   36  
    0  
   38    39    41    42    43    44    47    48    49    55    62    69    40  
   39    41    42    43    47    40  
   41    42    43    47    40  
   72    41    44    47    48    49    52    53    54    55    56    57    58    59    60    61    62    63    64    65    67    68    69    70    71  
   42    43    44    45    46    47  
   43    44  
   44    45    46    47    48    49  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    52    53    54    55    62    69  
   49    50    51    52  
   50    51    52    53    54    55    56    57  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    60    62    69  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62    63    67    69    70    71  
   57    58    59    60    62    69  
   58    59    60    61    62    63    69  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    69  
   62    63  
   63    64    65    66    67    69    70    71  
   64    65    66    67    68    69    72  
   65    66    67  
   66    67    68    69    70    71    72    73  
   67    68    69    72  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72  
   72  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.270000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   56   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   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   268.000  1.529
   33    47   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   367.000  1.471
   55    56   434.000  1.010
   55    57   367.000  1.471
   55    40   367.000  1.471
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.510
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   380.000  1.444
   62    40   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    40   268.000  1.529
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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  111.63000
   29    33    47    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    49    58.35000  112.70000
   33    40    55    80.00000  111.20000
   33    40    62    70.00000  112.02700
   33    40    69    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    43    81.00000  111.40000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    33    37    58.35000  112.70000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    80.00000  111.20000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    35.00000  109.50000
   52    55    57    75.00000  113.01200
   52    55    40    75.00000  113.01200
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  110.06800
   55    40    62    75.00000  110.06800
   55    40    69    80.00000  111.20000
   57    55    56    35.00000  109.50000
   57    60    61    35.00000  117.00000
   57    60    62    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    70.00000  123.01800
   60    62    40    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    70.00000  123.01800
   62    40    69    70.00000  112.02700
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    70.00000  112.02700
   65    67    72    85.00000  110.90400
   67    65    66    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    40    58.35000  112.70000
   67    72    73    60.00000  109.50000
   69    67    68    37.50000  110.70000
   71    69    70    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    47    58.35000  112.70000
   40    55    56    35.00000  109.50000
   40    55    57    75.00000  113.01200
   40    62    63    70.00000  124.00000
   40    69    70    37.50000  110.70000
   40    69    71    37.50000  110.70000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   29    33    40    55   0.56750  1.0 1.0
   29    33    40    55  -0.07550 -1.0 2.0
   29    33    40    55   0.20000  1.0 3.0
   29    33    40    62   0.56750  1.0 1.0
   29    33    40    62  -0.07550 -1.0 2.0
   29    33    40    62   0.20000  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    43   0.36750  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    52   0.56750  1.0 1.0
   33    47    49    52  -0.07550 -1.0 2.0
   33    47    49    52   0.20000  1.0 3.0
   37    33    47    44   0.56750  1.0 1.0
   37    33    47    44  -0.07550 -1.0 2.0
   37    33    47    44   0.20000  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    49   0.56750  1.0 1.0
   37    33    47    49  -0.07550 -1.0 2.0
   37    33    47    49   0.20000  1.0 3.0
   37    33    40    55   1.36600  1.0 1.0
   37    33    40    55  -0.11450 -1.0 2.0
   37    33    40    55   0.24250  1.0 3.0
   37    33    40    62   0.34400  1.0 1.0
   37    33    40    62   0.09450 -1.0 2.0
   37    33    40    62   0.11100  1.0 3.0
   37    33    40    69   0.56750  1.0 1.0
   37    33    40    69  -0.07550 -1.0 2.0
   37    33    40    69   0.20000  1.0 3.0
   37    41   -43    44   1.63150  1.0 1.0
   37    41   -43    44   2.92000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    43   0.00000  1.0 1.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43    44    47  -0.25900  1.0 1.0
   41    43    44    47  -0.47000 -1.0 2.0
   41    43    44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -47    33   0.62750  1.0 1.0
   43    44   -47    33  -0.30950 -1.0 2.0
   43    44   -47    33   0.27300  1.0 3.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    49   0.62750  1.0 1.0
   43    44    47    49  -0.30950 -1.0 2.0
   43    44    47    49   0.27300  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    52   0.56750  1.0 1.0
   44    47    49    52  -0.07550 -1.0 2.0
   44    47    49    52   0.20000  1.0 3.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   46    44    47    33   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   47    33    37    38   0.15000  1.0 3.0
   47    33    37    39   0.15000  1.0 3.0
   47    33   -37    41  -0.95700  1.0 1.0
   47    33   -37    41  -0.18200 -1.0 2.0
   47    33   -37    41   0.29450  1.0 3.0
   47    33    40    55   1.36600  1.0 1.0
   47    33    40    55  -0.11450 -1.0 2.0
   47    33    40    55   0.24250  1.0 3.0
   47    33    40    62   0.34400  1.0 1.0
   47    33    40    62   0.09450 -1.0 2.0
   47    33    40    62   0.11100  1.0 3.0
   47    33    40    69   0.56750  1.0 1.0
   47    33    40    69  -0.07550 -1.0 2.0
   47    33    40    69   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49   -52    55   1.36600  1.0 1.0
   47    49   -52    55  -0.11450 -1.0 2.0
   47    49   -52    55   0.24250  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   49    52    55    56   0.17350  1.0 3.0
   49    52    55    57   0.47100  1.0 1.0
   49    52    55    40   0.47100  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.19200  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.19200  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    60   0.08000 -1.0 2.0
   52    55   -40    33   0.47100  1.0 1.0
   52    55    40    62   0.08000 -1.0 2.0
   52    55    40    69   0.47100  1.0 1.0
   53    52    55    56   0.13050  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    40   0.15000  1.0 3.0
   54    52    55    56   0.13050  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    40   0.15000  1.0 3.0
   55    57    60    61   0.00000  1.0 1.0
   55    57   -60    62   0.80850  1.0 1.0
   55    57   -60    62  -0.47300 -1.0 2.0
   55    57   -60    62  -0.52300  1.0 3.0
   56    55    57    58   0.13050  1.0 3.0
   56    55    57    59   0.13050  1.0 3.0
   56    55    57    60   0.17350  1.0 3.0
   56    55    40    33   0.17350  1.0 3.0
   56    55    40    62   0.17350  1.0 3.0
   56    55    40    69   0.17350  1.0 3.0
   57    55    40    33   0.47100  1.0 1.0
   57    55   -40    62   0.08000 -1.0 2.0
   57    55    40    69   0.47100  1.0 1.0
   57    60    62    63   7.00000 -1.0 2.0
   57    60   -62    40   7.00000 -1.0 2.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.33100  1.0 3.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    63    64  -0.18600  1.0 3.0
   60    62    63    65   0.28850  1.0 1.0
   60    62    63    65   2.61350 -1.0 2.0
   60    62    63    65   0.78400  1.0 3.0
   60    62    40    33   0.09850  1.0 1.0
   60    62    40    33   0.15250 -1.0 2.0
   60    62    40    33  -0.50650  1.0 3.0
   60    62   -40    55   0.80850  1.0 1.0
   60    62   -40    55  -0.47300 -1.0 2.0
   60    62   -40    55  -0.52300  1.0 3.0
   60    62    40    69   0.09850  1.0 1.0
   60    62    40    69   0.15250 -1.0 2.0
   60    62    40    69  -0.50650  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    40   7.00000 -1.0 2.0
   62    63    65    66   7.00000 -1.0 2.0
   62    63    65    67   7.00000 -1.0 2.0
   63    62    40    33   0.98200  1.0 1.0
   63    62    40    33  -0.11900 -1.0 2.0
   63    62    40    33   0.24250  1.0 3.0
   63    62    40    55   0.80850  1.0 1.0
   63    62    40    55  -0.47300 -1.0 2.0
   63    62    40    55  -0.52300  1.0 3.0
   63    62    40    69   0.98200  1.0 1.0
   63    62    40    69  -0.11900 -1.0 2.0
   63    62    40    69   0.24250  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65   -67    69   0.09850  1.0 1.0
   63    65   -67    69   0.15250 -1.0 2.0
   63    65   -67    69  -0.50650  1.0 3.0
   63    65    67    72   0.39000  1.0 1.0
   63    65    67    72  -0.05800 -1.0 2.0
   63    65    67    72  -0.55150  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    71   0.15000  1.0 3.0
   65    67    69    40   0.34400  1.0 1.0
   65    67    69    40   0.09450 -1.0 2.0
   65    67    69    40   0.11100  1.0 3.0
   65    67    72    73  -0.77900  1.0 1.0
   65    67    72    73  -0.36900 -1.0 2.0
   65    67    72    73   0.40400  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    72   0.00000  1.0 1.0
   67    69    40    33   0.56750  1.0 1.0
   67    69    40    33  -0.07550 -1.0 2.0
   67    69    40    33   0.20000  1.0 3.0
   67    69    40    55   1.36600  1.0 1.0
   67    69    40    55  -0.11450 -1.0 2.0
   67    69    40    55   0.24250  1.0 3.0
   67    69   -40    62   0.34400  1.0 1.0
   67    69   -40    62   0.09450 -1.0 2.0
   67    69   -40    62   0.11100  1.0 3.0
   67    72    73    74   0.37050  1.0 3.0
   67    72    73    75   0.37050  1.0 3.0
   67    72    73    76   0.37050  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    40   0.15000  1.0 3.0
   68    67    72    73   0.37050  1.0 3.0
   69    67    72    73   0.06250  1.0 1.0
   69    67    72    73  -0.01100 -1.0 2.0
   69    67    72    73   0.28050  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    55   0.19200  1.0 3.0
   70    69    40    62   0.15000  1.0 3.0
   71    69    40    33   0.15000  1.0 3.0
   71    69    40    55   0.19200  1.0 3.0
   71    69    40    62   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41  -0.95700  1.0 1.0
   40    33    37    41  -0.18200 -1.0 2.0
   40    33    37    41   0.29450  1.0 3.0
   40    33    47    44   0.56750  1.0 1.0
   40    33    47    44  -0.07550 -1.0 2.0
   40    33    47    44   0.20000  1.0 3.0
   40    33    47    48   0.15000  1.0 3.0
   40    33   -47    49   0.56750  1.0 1.0
   40    33   -47    49  -0.07550 -1.0 2.0
   40    33   -47    49   0.20000  1.0 3.0
   40    55    57    58   0.15000  1.0 3.0
   40    55    57    59   0.15000  1.0 3.0
   40    55   -57    60   0.08000 -1.0 2.0
   40    62    63    64   0.00000  1.0 1.0
   40    62   -63    65  -0.18600  1.0 3.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    40   0.62750  1.0 1.0
   72    67    69    40  -0.30950 -1.0 2.0
   72    67    69    40   0.27300  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
   37    43    41    42  10.50000 -1.0 2.0
   57    61    60    62   1.10000 -1.0 2.0
   63    40    62    60   1.10000 -1.0 2.0
   62    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
END
