* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    185     379
    1     0 S   NP   _N1_     1    28.61060    96.78622   -23.24043
    2     1 S   H    _HN1     2     1.02956    68.98477    13.81046
    3     1 S   H    _H1_     3     1.02824    41.39496   169.55931
    4     1 S   H    _H2_     4     1.02785   105.19874   -90.39444
    5     1 S   CT   _CA1     5     1.50153   139.99606   110.77904
    6     5 S   HC   _HA1     6     1.09578   105.14226    96.45007
    7     5 S   CO3  _C1_     7     1.53759   112.53134   -23.63042
    8     7 S   O2Z  _O11     8     1.26366   114.99845   -40.32039
    9     7 S   O2Z  _O12     9     1.26245   114.94444   138.66681
   10     5 S   CT   _CB1    10     1.53054   107.35493  -145.66611
   11    10 S   HC   HB11    11     1.09837   109.17207   -50.07748
   12    10 S   HC   HB12    12     1.09817   110.50461    66.45040
   13    10 S   CT   _CG1    13     1.53015   112.73909  -171.11721
   14    13 S   HC   HG11    14     1.09576   110.61505   -68.42840
   15    13 S   HC   HG12    15     1.09673   109.80926    50.86397
   16    13 S   C    _CD1    16     1.51807   112.10705   171.11714
   17    16 S   O    _OE1    17     1.22719   123.11137     7.11483
   18    16 S   N    _N2_    18     1.38573   111.76111  -172.56104
   19    18 S   H    _HN2    19     1.01568   118.78515     0.98516
   20    18 S   CT1  _CA2    20     1.46343   123.66221   176.17229
   21    20 S   HC   _HA2    21     1.09651   109.30437     5.07636
   22    20 S   C    _C2_    22     1.53623   108.56031  -110.24754
   23    22 S   O    _O2_    23     1.23072   122.29661  -148.19295
   24    20 S   CT   _CB2    32     1.53329   111.21154   127.59500
   25    24 S   HC   HB21    33     1.09630   109.88580    51.97667
   26    24 S   HC   HB22    34     1.09451   111.63978   170.07322
   27    22 S   N    _N3_    24     1.38330   113.79664    39.18105
   28    27 S   H    _HN3    25     1.01562   119.56199    -2.55543
   29    24 S   S    _SG2    35     1.82704   112.23240   -67.27310
   30    27 S   CT   _CA3    26     1.45284   123.29432   177.36887
   31    30 S   HC   HA31    27     1.09545   107.45020   -66.72226
   32    30 S   HC   HA32    28     1.09557   108.07070    49.74631
   33    29 S   CT   _C9_    36     1.84698    99.87202   -86.19054
   34    33 S   HC   _H8_    37     1.09547   105.89172    33.88800
   35    30 S   CO3  _C3_    29     1.52980   114.05316   171.83526
   36    35 S   O2Z  _O31    30     1.26380   116.08190     0.48133
   37    35 S   O2Z  _O32    31     1.26432   114.41151  -179.45142
   38    33 S   CT   _C4_    38     1.54125   110.42897   -84.47179
   39    38 S   HC   _H3_    39     1.09629   111.75370    45.62196
   40    38 S   CT   _C5_    40     1.54249   112.33971   -77.22563
   41    40 S   HC   _H4_    41     1.09622   107.95449    67.53804
   42    38 S   OH   _O49    72     1.43314   108.42465   161.11743
   43    42 S   HO   _H13    73     0.97205   107.71902   -59.80737
   44    40 S   CT   _C6_    42     1.54107   113.13399   -53.40689
   45    44 S   HC   _H5_    43     1.09250   109.18834   177.55008
   46    40 S   OS   _O45    66     1.42631   108.57102  -175.82313
   47    44 S   CT   _C7_    44     1.53587   110.64861    56.04986
   48    47 S   HC   _H6_    45     1.09651   110.65103  -174.11001
   49    44 S   OS   _O41    60     1.42870   109.63662   -64.18797
   50    46 S   P2   _P4_    67     1.63072   120.16932  -149.91690
   51    50 S   O2Z  _O48    68     1.51202   111.01962   -23.53830
   52    50 S   O2Z  _O46    69     1.51215   108.22788   111.54027
   53    33 S   CT   _C8_    46     1.54956   113.74573   150.52799
   54    53 S   HC   _H7_    47     1.09862   107.20286  -168.56210
   55    47 S   OS   _O37    54     1.42591   111.38453    65.89712
   56    49 S   P2   _P3_    61     1.62926   119.33480  -127.82059
   57    56 S   O2Z  _O44    62     1.51070   109.40624   -71.18500
   58    56 S   O2Z  _O42    63     1.51234   109.87160    64.29032
   59    50 S   OS   _O47    70     1.63063    97.71019  -136.32815
   60    59 S   HO   _H12    71     0.98563   115.39897    67.10361
   61    53 S   OS   _O33    48     1.42772   110.32796   -52.02543
   62    55 S   P2   _P2_    55     1.62915   122.31369    70.08330
   63    62 S   O2Z  _O40    56     1.51289   108.37546   147.85452
   64    62 S   O2Z  _O38    57     1.51060   110.92719    13.37563
   65    56 S   OS   _O43    64     1.63105    98.19343   177.06829
   66    65 S   HO   _H11    65     0.97868   115.78313    78.55397
   67    61 S   P2   _P1_    49     1.63150   118.52271   -98.51988
   68    67 S   O2Z  _O36    50     1.51125   109.23303   -77.11918
   69    67 S   O2Z  _O34    51     1.51198   109.58320    57.54459
   70    62 S   OS   _O39    58     1.62996    99.01387  -100.29691
   71    70 S   HO   _H10    59     0.98435   118.45296    78.51301
   72    67 S   OS   _O35    52     1.62993    98.45191   169.89960
   73    72 S   HO   _H9_    53     0.98169   115.47241   -78.37865
  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
  16   8   2   1   1  14   7  16   7   4   1  15   7   7  12   6
   7   4   3   2   8   3   6   4   3   2   1   1   5   4   3   2
   1   1   4   3   2   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    53    54    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    53    54    61    67    55    46    42    43  
   38    39    40    47    53    54    61    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    53    54    61    49    46    50    42    43  
   40    41    44    53    46    42    43  
   41    44    45    47    48    53    55    49    56    46    50    51    52    59    42    43  
   44    45    47    49    46    50    42  
   43    44    46    53  
    0  
   45    47    48    53    54    61    55    62    49    56    57    58    65    46    50  
   47    48    53    55    49    56    46  
   50    51    52    59    60    47    49  
   48    53    54    61    67    55    62    63    64    70    49    56  
   53    54    61    55    62    49  
   56    57    58    65    66    53    55  
   51    52    59    60  
   52    59    60  
   59    60  
   54    61    67    68    69    72    55    62  
   61    67    55  
   62    63    64    70    71    61  
   57    58    65    66  
   58    65    66  
   65    66  
   60  
    0  
   67    68    69    72    73  
   63    64    70    71  
   64    70    71  
   70    71  
   66  
    0  
   68    69    72    73  
   69    72    73  
   72    73  
   71  
    0  
   73  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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    53   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    61   320.000  1.410
   61    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    72   230.000  1.697
   72    73   553.000  0.945
   55    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    70   230.000  1.697
   70    71   553.000  0.945
   49    56   230.000  1.697
   56    57   525.000  1.480
   56    58   525.000  1.480
   56    65   230.000  1.697
   65    66   553.000  0.945
   46    50   230.000  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    59   230.000  1.697
   59    60   553.000  0.945
   42    43   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    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    53    47    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    50   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    53    58.35000  112.70000
   44    47    55    50.00000  109.50000
   44    49    56   100.00000  120.50000
   47    44    45    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    61    50.00000  109.50000
   47    55    62   100.00000  120.50000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    61    67   100.00000  120.50000
   61    53    54    35.00000  109.50000
   61    67    68   100.00000  108.23000
   61    67    69   100.00000  108.23000
   61    67    72    45.00000  102.60000
   67    72    73    45.00000  108.50000
   69    67    68   140.00000  119.90000
   72    67    68   100.00000  108.23000
   72    67    69   100.00000  108.23000
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   55    62    63   100.00000  108.23000
   55    62    64   100.00000  108.23000
   55    62    70    45.00000  102.60000
   62    70    71    45.00000  108.50000
   64    62    63   140.00000  119.90000
   70    62    63   100.00000  108.23000
   70    62    64   100.00000  108.23000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   49    56    57   100.00000  108.23000
   49    56    58   100.00000  108.23000
   49    56    65    45.00000  102.60000
   56    65    66    45.00000  108.50000
   58    56    57   140.00000  119.90000
   65    56    57   100.00000  108.23000
   65    56    58   100.00000  108.23000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    50    51   100.00000  108.23000
   46    50    52   100.00000  108.23000
   46    50    59    45.00000  102.60000
   50    59    60    45.00000  108.50000
   52    50    51   140.00000  119.90000
   59    50    51   100.00000  108.23000
   59    50    52   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    61   0.56750  1.0 1.0
   29    33    53    61  -0.07550 -1.0 2.0
   29    33    53    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    53    61    67  -2.65550  1.0 1.0
   33    53    61    67  -0.22350 -1.0 2.0
   33    53    61    67   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    53    47   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    61   0.23400  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    61   0.62750  1.0 1.0
   38    33    53    61  -0.30950 -1.0 2.0
   38    33    53    61   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.62750  1.0 1.0
   38    40    44    49  -0.30950 -1.0 2.0
   38    40    44    49   0.27300  1.0 3.0
   38    40    46    50  -2.65550  1.0 1.0
   38    40    46    50  -0.22350 -1.0 2.0
   38    40    46    50   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    53   0.56750  1.0 1.0
   40    44    47    53  -0.07550 -1.0 2.0
   40    44    47    53   0.20000  1.0 3.0
   40    44    47    55   0.62750  1.0 1.0
   40    44    47    55  -0.30950 -1.0 2.0
   40    44    47    55   0.27300  1.0 3.0
   40    44    49    56  -2.65550  1.0 1.0
   40    44    49    56  -0.22350 -1.0 2.0
   40    44    49    56   0.24150  1.0 3.0
   40    46    50    51   0.00000  1.0 1.0
   40    46    50    52   0.00000  1.0 1.0
   40    46    50    59   0.05050  1.0 1.0
   40    46    50    59  -1.30700 -1.0 2.0
   40    46    50    59   0.91550  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    50   0.03000  1.0 3.0
   44    40    46    50  -2.65550  1.0 1.0
   44    40    46    50  -0.22350 -1.0 2.0
   44    40    46    50   0.24150  1.0 3.0
   44    47   -53    33   0.56750  1.0 1.0
   44    47   -53    33  -0.07550 -1.0 2.0
   44    47   -53    33   0.20000  1.0 3.0
   44    47    53    54   0.15000  1.0 3.0
   44    47    53    61   0.62750  1.0 1.0
   44    47    53    61  -0.30950 -1.0 2.0
   44    47    53    61   0.27300  1.0 3.0
   44    47    55    62  -2.65550  1.0 1.0
   44    47    55    62  -0.22350 -1.0 2.0
   44    47    55    62   0.24150  1.0 3.0
   44    49    56    57   0.00000  1.0 1.0
   44    49    56    58   0.00000  1.0 1.0
   44    49    56    65   0.05050  1.0 1.0
   44    49    56    65  -1.30700 -1.0 2.0
   44    49    56    65   0.91550  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    53   0.15000  1.0 3.0
   45    44    47    55   0.23400  1.0 3.0
   45    44    49    56   0.03000  1.0 3.0
   47    44    49    56  -2.65550  1.0 1.0
   47    44    49    56  -0.22350 -1.0 2.0
   47    44    49    56   0.24150  1.0 3.0
   47    53    61    67  -2.65550  1.0 1.0
   47    53    61    67  -0.22350 -1.0 2.0
   47    53    61    67   0.24150  1.0 3.0
   47    55    62    63   0.00000  1.0 1.0
   47    55    62    64   0.00000  1.0 1.0
   47    55    62    70   0.05050  1.0 1.0
   47    55    62    70  -1.30700 -1.0 2.0
   47    55    62    70   0.91550  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    61   0.23400  1.0 3.0
   48    47    55    62   0.03000  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.56750  1.0 1.0
   53    33   -38    40  -0.07550 -1.0 2.0
   53    33   -38    40   0.20000  1.0 3.0
   53    33    38    42   0.86500  1.0 1.0
   53    33    38    42  -0.17500 -1.0 2.0
   53    33    38    42   0.20800  1.0 3.0
   53    47    55    62  -2.65550  1.0 1.0
   53    47    55    62  -0.22350 -1.0 2.0
   53    47    55    62   0.24150  1.0 3.0
   53    61    67    68   0.00000  1.0 1.0
   53    61    67    69   0.00000  1.0 1.0
   53    61    67    72   0.05050  1.0 1.0
   53    61    67    72  -1.30700 -1.0 2.0
   53    61    67    72   0.91550  1.0 3.0
   54    53    61    67   0.03000  1.0 3.0
   61    67    72    73   0.00000  1.0 1.0
   68    67    72    73   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   55    47    53    33   0.62750  1.0 1.0
   55    47    53    33  -0.30950 -1.0 2.0
   55    47    53    33   0.27300  1.0 3.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    61   1.11900  1.0 1.0
   55    47    53    61  -1.16350 -1.0 2.0
   55    47    53    61  -0.34150  1.0 3.0
   55    62    70    71   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   64    62    70    71   0.00000  1.0 1.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    53   0.62750  1.0 1.0
   49    44    47    53  -0.30950 -1.0 2.0
   49    44    47    53   0.27300  1.0 3.0
   49    44    47    55   1.11900  1.0 1.0
   49    44    47    55  -1.16350 -1.0 2.0
   49    44    47    55  -0.34150  1.0 3.0
   49    56    65    66   0.00000  1.0 1.0
   57    56    65    66   0.00000  1.0 1.0
   58    56    65    66   0.00000  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   1.11900  1.0 1.0
   46    40    44    49  -1.16350 -1.0 2.0
   46    40    44    49  -0.34150  1.0 3.0
   46    50    59    60   0.00000  1.0 1.0
   51    50    59    60   0.00000  1.0 1.0
   52    50    59    60   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
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
