* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    145    206     413
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059   106.19110    -4.98130
    3     1 S   H    _H1_     3     1.02120    50.53486    96.20992
    4     1 S   H    _H2_     4     1.02151    61.74116  -107.85817
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.82813    98.12136   -78.18480
   34    33 S   HC   _H7_    37     1.09262   106.41879    37.06321
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C13    38     1.51745   111.15107   159.98944
   39    38 S   HC   _H18    39     1.09676   108.24275  -157.02176
   40    38 S   HC   _H19    40     1.09447   114.51272   -36.99547
   41    38 S   CO   _C14    41     1.52005   103.66332    87.61690
   42    41 S   HC   _H8_    42     1.09492   111.24327   145.75263
   43    41 S   OS   _O42    43     1.43364   106.96342    26.16041
   44    41 S   OH   _O43    76     1.42215   109.58960   -94.33294
   45    44 S   HO   _H20    77     0.97106   106.70377   179.98022
   46    33 S   CT   _C11    44     1.52686   110.91917   -86.49591
   47    46 S   HC   _H6_    45     1.09514   113.31289    26.78134
   48    46 S   CT   _C10    46     1.52604   112.07841   149.40225
   49    48 S   HC   _H16    47     1.09075   109.91679   179.97202
   50    48 S   HC   _H17    48     1.09043   109.94254    59.11586
   51    48 S   OS   _O41    49     1.41537   108.57050   -60.50610
   52    51 S   P2   _P2_    50     1.63780   119.31456   149.99917
   53    52 S   O2Z  _O40    51     1.51403   108.28728    40.01220
   54    52 S   O2Z  _O39    52     1.51409   109.05004   172.57643
   55    52 S   OS   _O38    53     1.63739    99.99396   -74.01860
   56    55 S   CT   _C7_    54     1.42582   119.16895   -86.53040
   57    56 S   HC   _H4_    55     1.10321   107.40211    36.92911
   58    56 S   CT   _C6_    56     1.51209   109.79015   160.01786
   59    58 S   HC   _H12    57     1.09676   109.66345  -159.47366
   60    58 S   HC   _H13    58     1.09467   114.02174   -37.50789
   61    58 S   CT   _C5_    59     1.52037   102.25441    83.15496
   62    61 S   HC   _H3_    60     1.09526   110.29395   -85.07735
   63    61 S   OS   _O33    61     1.43634   106.63913    30.85953
   64    61 S   CT   _C4_    72     1.51728   113.41535   151.64751
   65    64 S   HC   _H9_    73     1.09249   110.32308   -56.33877
   66    64 S   HC   _H10    74     1.09226   110.38505  -176.35465
   67    64 S   HC   _H11    75     1.09307   110.32287    63.59316
   68    56 S   CT   _C8_    62     1.52443   110.02907   -87.23096
   69    68 S   HC   _H5_    63     1.09524   112.14341    27.09491
   70    68 S   CT   _C9_    64     1.52314   112.67342   151.44382
   71    70 S   HC   _H14    65     1.09085   110.10626    60.06170
   72    70 S   HC   _H15    66     1.09147   110.14569   -60.92309
   73    70 S   OS   _O34    67     1.41692   108.64373   179.58035
   74    73 S   P3   _P1_    68     1.65329   118.81508  -179.96044
   75    74 S   O2Z  _O36    69     1.52576   103.61724   179.98022
   76    74 S   O2Z  _O37    70     1.52536   104.67456    60.22590
   77    74 S   O2Z  _O35    71     1.52587   104.61043   -60.35063
  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
  14   8   2   1   1  10   6   5   7   4   8   2   1   6   4   7
   3   2   5   7   3   2  10  14   8  12   6   5   9   6  10   4
   2   1   1   6   4   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    49    50    51    44  
   38    39    40    41    43    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    48    44    45  
   40    41    42    43    46    44  
   41    42    43    46    44  
   42    43    46    47    48    44    45  
   43    46    44    45  
   46    47    48    49    50    51    44    45  
   45    46  
    0  
   47    48    49    50    51    52  
   48    49    50    51  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52    53    54    55    56  
   53    54    55    56    57    58    68  
   54    55    56  
   55    56  
   56    57    58    59    60    61    63    68    69    70  
   57    58    59    60    61    62    63    68    69    70    71    72    73    64  
   58    59    60    61    63    68    69    70  
   59    60    61    62    63    68    69    70    64    65    66    67  
   60    61    62    63    68    64  
   61    62    63    68    64  
   62    63    68    69    70    64    65    66    67  
   63    68    64    65    66    67  
   68    69    70    71    72    73    64    65    66    67  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   75   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   76   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   77   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   250.000  1.527
   41    42   340.000  1.090
   41    43   320.000  1.380
   41    44   380.000  1.407
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   320.000  1.410
   51    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    55   230.000  1.697
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    68   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   320.000  1.410
   61    64   268.000  1.529
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   320.000  1.410
   73    74   230.000  1.630
   74    75   525.000  1.516
   74    76   525.000  1.516
   74    77   525.000  1.516
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  109.43000
   33    46    43    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    45.00000  112.01100
   38    41    43    90.00000  108.56700
   38    41    44    90.00000  110.19100
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  108.72000
   41    38    40    45.00000  108.72000
   41    43    46    60.00000  109.50000
   41    44    45    70.00000  107.92000
   43    41    42    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    51    52   100.00000  120.50000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53   100.00000  108.23000
   51    52    54   100.00000  108.23000
   51    52    55    45.00000  102.60000
   52    55    56   100.00000  120.50000
   54    52    53   140.00000  119.90000
   55    52    53   100.00000  108.23000
   55    52    54   100.00000  108.23000
   55    56    57    35.00000  109.50000
   55    56    58    50.00000  109.50000
   55    56    68    50.00000  109.50000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    68    63    50.00000  109.50000
   56    68    69    37.50000  110.70000
   56    68    70    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    50.00000  109.50000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    68    60.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    70    50.00000  109.50000
   68    56    57    37.50000  110.70000
   68    56    58    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    50.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74    80.00000  112.68000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75   100.00000  107.00000
   73    74    76   100.00000  107.00000
   73    74    77   100.00000  107.00000
   76    74    75   140.00000  114.00000
   77    74    75   140.00000  114.00000
   77    74    76   140.00000  114.00000
   64    61    62    37.50000  110.70000
   64    61    63    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   44    41    42    60.00000  108.02500
   44    41    43   110.00000  112.08000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38   -41    43   0.62750  1.0 1.0
   33    38   -41    43  -0.30950 -1.0 2.0
   33    38   -41    43   0.27300  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.62750  1.0 1.0
   33    46    48    51  -0.30950 -1.0 2.0
   33    46    48    51   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    46    43   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    43   0.62750  1.0 1.0
   38    33   -46    43  -0.30950 -1.0 2.0
   38    33   -46    43   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    41   -43    46   0.06250  1.0 1.0
   38    41   -43    46  -0.01100 -1.0 2.0
   38    41   -43    46   0.28050  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43   -46    33   0.06250  1.0 1.0
   41    43   -46    33  -0.01100 -1.0 2.0
   41    43   -46    33   0.28050  1.0 3.0
   41    43    46    47   0.37050  1.0 3.0
   41    43    46    48   0.06250  1.0 1.0
   41    43    46    48  -0.01100 -1.0 2.0
   41    43    46    48   0.28050  1.0 3.0
   42    41    43    46   0.37050  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.50000  1.0 1.0
   43    41    44    45  -0.73950 -1.0 2.0
   43    41    44    45   0.17150  1.0 3.0
   43    46    48    49   0.23400  1.0 3.0
   43    46    48    50   0.23400  1.0 3.0
   43    46    48    51   1.11900  1.0 1.0
   43    46    48    51  -1.16350 -1.0 2.0
   43    46    48    51  -0.34150  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41   3.97050  1.0 1.0
   46    48    51    52  -2.65550  1.0 1.0
   46    48    51    52  -0.22350 -1.0 2.0
   46    48    51    52   0.24150  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.23400  1.0 3.0
   48    51    52    53   0.00000  1.0 1.0
   48    51    52    54   0.00000  1.0 1.0
   48    51    52    55   0.05050  1.0 1.0
   48    51    52    55  -1.30700 -1.0 2.0
   48    51    52    55   0.91550  1.0 3.0
   49    48    51    52   0.03000  1.0 3.0
   50    48    51    52   0.03000  1.0 3.0
   51    52    55    56   0.05050  1.0 1.0
   51    52    55    56  -1.30700 -1.0 2.0
   51    52    55    56   0.91550  1.0 3.0
   52    55    56    57   0.03000  1.0 3.0
   52    55    56    58  -2.65550  1.0 1.0
   52    55    56    58  -0.22350 -1.0 2.0
   52    55    56    58   0.24150  1.0 3.0
   52    55    56    68  -2.65550  1.0 1.0
   52    55    56    68  -0.22350 -1.0 2.0
   52    55    56    68   0.24150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.23400  1.0 3.0
   55    56    58    61   0.62750  1.0 1.0
   55    56    58    61  -0.30950 -1.0 2.0
   55    56    58    61   0.27300  1.0 3.0
   55    56    68    63   1.11900  1.0 1.0
   55    56    68    63  -1.16350 -1.0 2.0
   55    56    68    63  -0.34150  1.0 3.0
   55    56    68    69   0.23400  1.0 3.0
   55    56    68    70   0.62750  1.0 1.0
   55    56    68    70  -0.30950 -1.0 2.0
   55    56    68    70   0.27300  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58   -61    63   0.62750  1.0 1.0
   56    58   -61    63  -0.30950 -1.0 2.0
   56    58   -61    63   0.27300  1.0 3.0
   56    58    61    64   0.56750  1.0 1.0
   56    58    61    64  -0.07550 -1.0 2.0
   56    58    61    64   0.20000  1.0 3.0
   56    68    70    71   0.15000  1.0 3.0
   56    68    70    72   0.15000  1.0 3.0
   56    68    70    73   0.62750  1.0 1.0
   56    68    70    73  -0.30950 -1.0 2.0
   56    68    70    73   0.27300  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    68    63   0.23400  1.0 3.0
   57    56    68    69   0.15000  1.0 3.0
   57    56    68    70   0.15000  1.0 3.0
   58    56   -68    63   0.62750  1.0 1.0
   58    56   -68    63  -0.30950 -1.0 2.0
   58    56   -68    63   0.27300  1.0 3.0
   58    56    68    69   0.15000  1.0 3.0
   58    56    68    70   0.56750  1.0 1.0
   58    56    68    70  -0.07550 -1.0 2.0
   58    56    68    70   0.20000  1.0 3.0
   58    61   -63    68   0.06250  1.0 1.0
   58    61   -63    68  -0.01100 -1.0 2.0
   58    61   -63    68   0.28050  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.23400  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.23400  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    63   -68    56   0.06250  1.0 1.0
   61    63   -68    56  -0.01100 -1.0 2.0
   61    63   -68    56   0.28050  1.0 3.0
   61    63    68    69   0.37050  1.0 3.0
   61    63    68    70   0.06250  1.0 1.0
   61    63    68    70  -0.01100 -1.0 2.0
   61    63    68    70   0.28050  1.0 3.0
   62    61    63    68   0.37050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.23400  1.0 3.0
   63    61    64    66   0.23400  1.0 3.0
   63    61    64    67   0.23400  1.0 3.0
   63    68    70    71   0.23400  1.0 3.0
   63    68    70    72   0.23400  1.0 3.0
   63    68    70    73   1.11900  1.0 1.0
   63    68    70    73  -1.16350 -1.0 2.0
   63    68    70    73  -0.34150  1.0 3.0
   68    56    58    59   0.15000  1.0 3.0
   68    56    58    60   0.15000  1.0 3.0
   68    56   -58    61   0.56750  1.0 1.0
   68    56   -58    61  -0.07550 -1.0 2.0
   68    56   -58    61   0.20000  1.0 3.0
   68    70    73    74  -2.65550  1.0 1.0
   68    70    73    74  -0.22350 -1.0 2.0
   68    70    73    74   0.24150  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.23400  1.0 3.0
   70    73    74    75   0.00000  1.0 1.0
   70    73    74    76   0.00000  1.0 1.0
   70    73    74    77   0.00000  1.0 1.0
   71    70    73    74   0.03000  1.0 3.0
   72    70    73    74   0.03000  1.0 3.0
   64    61    63    68   0.06250  1.0 1.0
   64    61    63    68  -0.01100 -1.0 2.0
   64    61    63    68   0.28050  1.0 3.0
   44    41    43    46  -0.70900  1.0 1.0
   44    41    43    46  -1.18000 -1.0 2.0
   44    41    43    46   0.91650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
