* LIGAND DATABASE FILE (OPLS2005)
*
001      77    76    135    196     395
    1     0 S   NP   _N1_     1    29.09096    92.31822   -22.89398
    2     1 S   H    _HN1     2     1.03569    94.24551    55.28878
    3     1 S   H    _H1_     3     1.02740    16.35375  -162.90996
    4     1 S   H    _H2_     4     1.02737   103.19503   -53.30176
    5     1 S   CT   _CA1     5     1.49997   126.71500   175.50647
    6     5 S   HC   _HA1     6     1.09603   105.06664    70.84424
    7     5 S   CO3  _C1_     7     1.53766   112.74094   -48.82879
    8     7 S   O2Z  _O11     8     1.26260   115.37039   -47.37664
    9     7 S   O2Z  _O12     9     1.26328   114.77335   131.81244
   10     5 S   CT   _CB1    10     1.53060   107.27613  -171.78145
   11    10 S   HC   HB11    11     1.09809   108.99730   -52.83845
   12    10 S   HC   HB12    12     1.09792   110.49353    63.49426
   13    10 S   CT   _CG1    13     1.53016   112.96131  -174.39052
   14    13 S   HC   HG11    14     1.09588   110.08237   -64.41142
   15    13 S   HC   HG12    15     1.09619   110.36429    54.74456
   16    13 S   C    _CD1    16     1.51852   111.87178   174.44861
   17    16 S   O    _OE1    17     1.22793   122.99891   -20.76946
   18    16 S   N    _N2_    18     1.38613   112.11324   160.63272
   19    18 S   H    _HN2    19     1.01589   119.15370     0.31837
   20    18 S   CT1  _CA2    20     1.46203   123.14994  -179.64227
   21    20 S   HC   _HA2    21     1.09749   109.16089   -15.01576
   22    20 S   C    _C2_    22     1.53366   108.42889  -130.46637
   23    22 S   O    _O2_    23     1.23031   122.42799  -147.56604
   24    20 S   CT   _CB2    32     1.53505   111.92289   106.90759
   25    24 S   HC   HB21    33     1.09568   110.05602    56.81204
   26    24 S   HC   HB22    34     1.09528   110.02992   175.82777
   27    22 S   N    _N3_    24     1.38398   113.43527    40.04235
   28    27 S   H    _HN3    25     1.01665   119.51449    -3.80611
   29    24 S   S    _SG2    35     1.82618   111.83040   -64.19402
   30    27 S   CT   _CA3    26     1.45295   122.98744   176.78539
   31    30 S   HC   HA31    27     1.09557   107.58632   -61.98642
   32    30 S   HC   HA32    28     1.09562   107.84808    54.36873
   33    29 S   CT   _C4_    36     1.83163    99.58851  -173.26102
   34    33 S   HC   _H3_    37     1.09607   106.24265    63.32027
   35    30 S   CO3  _C3_    29     1.52902   114.24585   176.33633
   36    35 S   O2Z  _O31    30     1.26346   116.07924     0.02798
   37    35 S   O2Z  _O32    31     1.26437   114.39731  -179.93147
   38    33 S   CT   _C5_    38     1.54218   110.56002  -178.28765
   39    38 S   Cl   Cl1_    39     1.79618   109.31751  -168.71250
   40    38 S   HC   _H4_    40     1.09508   109.75179   -52.80170
   41    33 S   OH   _O39    76     1.42534   111.60565   -53.49456
   42    41 S   HO   _H20    77     0.97277   107.34230  -174.15165
   43    38 S   S    _S1_    41     1.83507   113.23763    70.16564
   44    43 S   CT   _C6_    42     1.82911    99.17303  -149.54842
   45    44 S   HC   _H5_    43     1.09490   107.79395    61.02722
   46    44 S   HC   _H6_    44     1.09497   108.17471   -55.47495
   47    44 S   CT1  _C7_    45     1.53629   112.98759  -177.17950
   48    47 S   HC   _H7_    46     1.09779   108.35121  -179.30988
   49    47 S   C    _C8_    47     1.53085   112.87467   -60.27150
   50    49 S   O    _O33    48     1.23009   122.69978   111.39931
   51    47 S   N    _N5_    57     1.45853   112.26803    62.73708
   52    51 S   H    _H11    58     1.01652   117.58026  -100.70069
   53    49 S   N    _N4_    49     1.38423   112.94857   -67.98509
   54    53 S   H    _H8_    50     1.01616   120.51655    -1.91520
   55    51 S   C    _C11    59     1.38486   122.93044    77.58926
   56    55 S   O    _O36    60     1.22758   124.77999     1.22429
   57    53 S   CT   _C9_    51     1.45363   122.29822   178.11591
   58    57 S   HC   _H9_    52     1.09535   107.54083   -58.27219
   59    57 S   HC   _H10    53     1.09555   107.80316    58.06814
   60    55 S   CT   _C12    61     1.51882   111.82136  -179.41617
   61    60 S   HC   _H12    62     1.09581   108.07733    54.00502
   62    60 S   HC   _H13    63     1.09568   107.46378   -62.30353
   63    57 S   CO3  _C10    54     1.52826   114.38240  -179.91607
   64    63 S   O2Z  _O35    55     1.26301   116.14968     0.27906
   65    63 S   O2Z  _O34    56     1.26541   114.45688  -179.88465
   66    60 S   CT   _C13    64     1.53110   112.15252   175.95325
   67    66 S   HC   _H14    65     1.09835   109.08104    59.74901
   68    66 S   HC   _H15    66     1.09789   109.00179   -55.07229
   69    66 S   CT   _C14    67     1.53234   114.42132  -177.65031
   70    69 S   HC   _H16    68     1.09712   108.13823  -177.71732
   71    69 S   CO3  _C15    69     1.54182   115.03068    64.07424
   72    71 S   O2Z  _O38    70     1.26156   115.88937    34.05015
   73    71 S   O2Z  _O37    71     1.26493   114.54127  -146.76305
   74    69 S   NP   _N6_    72     1.50069   108.90669   -64.86429
   75    74 S   H    _H17    73     1.02792   111.54864    67.92473
   76    74 S   H    _H18    74     1.02761   112.38742   -54.30630
   77    74 S   H    _H19    75     1.02942   109.67634  -174.49263
  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   8   5   4   3
   8   6   2   1   1   9   4   3   2   1   7  10   5   4  11   6
  10   4   8   3   7   4   8   4   5   4   3   9   5   4   2   1
   1  11   5   4   8   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    41    42  
   38    39    40    43    41    42  
   36    37  
   37  
    0  
   39    40    43    44    45    46    47    41    42  
   40    43    44    41  
   43    44    41  
   42    43  
    0  
   44    45    46    47    48    49    51  
   45    46    47    48    49    50    53    51    52    55  
   46    47    48    49    51  
   47    48    49    51  
   48    49    50    53    54    57    51    52    55    56    60  
   49    50    53    51    52    55  
   50    53    54    57    58    59    63    51    52    55  
   53    54    57    51  
   52    55    56    60    61    62    66    53  
   55    56    60  
   54    57    58    59    63    64    65  
   57    58    59    63  
   56    60    61    62    66    67    68    69  
   60    61    62    66  
   58    59    63    64    65  
   59    63    64    65  
   63    64    65  
   61    62    66    67    68    69    70    71    74  
   62    66    67    68    69  
   66    67    68    69  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    74    75    76    77  
   68    69    70    71    74  
   69    70    71    74  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74  
   74  
   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   0.372500   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   0.104500   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   72   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   73   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   74   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   75   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.210000   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    41   320.000  1.410
   38    39   245.000  1.781
   38    40   340.000  1.090
   38    43   222.000  1.810
   43    44   222.000  1.810
   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   317.000  1.522
   47    51   337.000  1.449
   49    50   570.000  1.229
   49    53   490.000  1.335
   53    54   434.000  1.010
   53    57   337.000  1.449
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
   51    52   434.000  1.010
   51    55   490.000  1.335
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   317.000  1.522
   69    74   367.000  1.471
   71    72   656.000  1.250
   71    73   656.000  1.250
   74    75   434.000  1.010
   74    76   434.000  1.010
   74    77   434.000  1.010
   41    42   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    41    85.00000  114.68000
   33    38    39    69.00000  109.80000
   33    38    40    37.50000  110.70000
   33    38    43    75.00000  111.63000
   33    41    42    55.00000  108.50000
   38    33    34    37.50000  110.70000
   38    43    44    62.00000   98.90000
   40    38    39    51.00000  107.60000
   43    38    39    85.00000  110.65400
   43    38    40    35.00000  109.50000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    75.00000  108.68000
   44    47    48    37.50000  110.70000
   44    47    49    63.00000  111.10000
   44    47    51    80.00000  109.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    80.00000  120.40000
   47    49    53    70.00000  116.60000
   47    51    52    38.00000  118.40000
   47    51    55    50.00000  121.90000
   49    47    48    35.00000  109.50000
   49    53    54    35.00000  119.80000
   49    53    57    50.00000  121.90000
   53    49    50    80.00000  122.90000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    63    63.00000  110.10000
   57    53    54    38.00000  118.40000
   57    63    64    70.00000  117.00000
   57    63    65    70.00000  117.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   65    63    64    80.00000  126.00000
   51    47    48    35.00000  109.50000
   51    47    49    63.00000  110.10000
   51    55    56    80.00000  122.90000
   51    55    60    70.00000  116.60000
   55    51    52    35.00000  119.80000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    66    63.00000  111.10000
   60    55    56    80.00000  120.40000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    70.00000  109.69300
   66    69    74    80.00000  111.20000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    70.00000  117.00000
   69    71    73    70.00000  117.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   71    69    70    35.00000  109.50000
   73    71    72    80.00000  126.00000
   74    69    70    35.00000  109.50000
   74    69    71    80.00000  109.26000
   76    74    75    35.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   41    33    34    35.00000  109.50000
   41    33    38    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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    38    43    44   0.01700  1.0 1.0
   33    38    43    44  -0.23550 -1.0 2.0
   33    38    43    44   0.21350  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.19450  1.0 3.0
   38    33    41    42  -0.11600  1.0 1.0
   38    33    41    42  -0.09450 -1.0 2.0
   38    33    41    42   0.21250  1.0 3.0
   38    43    44    45   0.32350  1.0 3.0
   38    43    44    46   0.32350  1.0 3.0
   38    43    44    47   0.01700  1.0 1.0
   38    43    44    47  -0.23550 -1.0 2.0
   38    43    44    47   0.21350  1.0 3.0
   39    38    43    44   0.01700  1.0 1.0
   39    38    43    44  -0.23550 -1.0 2.0
   39    38    43    44   0.21350  1.0 3.0
   40    38    43    44   0.32350  1.0 3.0
   43    44    47    48   0.15000  1.0 3.0
   43    44    47    49  -2.17200  1.0 1.0
   43    44    47    49  -0.85700 -1.0 2.0
   43    44    47    51   0.71400  1.0 1.0
   43    44    47    51   0.04300 -1.0 2.0
   43    44    47    51   0.01450  1.0 3.0
   44    47    49    50   0.00000  1.0 1.0
   44    47    49    53   0.93250  1.0 1.0
   44    47    49    53   0.04450 -1.0 2.0
   44    47    49    53   0.17550  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.25950  1.0 1.0
   44    47    51    55   0.43850 -1.0 2.0
   44    47    51    55   2.61650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49  -0.03800  1.0 3.0
   45    44    47    51   0.23200  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49  -0.03800  1.0 3.0
   46    44    47    51   0.23200  1.0 3.0
   47    49    53    54   2.45000 -1.0 2.0
   47    49    53    57   1.15000  1.0 1.0
   47    49    53    57   3.04450 -1.0 2.0
   47    51    55    56   3.04450 -1.0 2.0
   47    51    55    60   1.15000  1.0 1.0
   47    51    55    60   3.04450 -1.0 2.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    53   0.00000  1.0 1.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.00000  1.0 1.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    55  -0.29800  1.0 1.0
   49    47    51    55   0.13950 -1.0 2.0
   49    47    51    55  -2.45650  1.0 3.0
   49    53    57    58   0.00000  1.0 1.0
   49    53    57    59   0.00000  1.0 1.0
   49    53    57    63  -0.29800  1.0 1.0
   49    53    57    63   0.13950 -1.0 2.0
   49    53    57    63  -2.45650  1.0 3.0
   50    49    53    54   2.45000 -1.0 2.0
   50    49    53    57   3.04450 -1.0 2.0
   53    57    63    64   0.00000  1.0 1.0
   53    57    63    65   0.00000  1.0 1.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   54    53    57    63   0.00000  1.0 1.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    65   0.00000  1.0 1.0
   59    57    63    64   0.00000  1.0 1.0
   59    57    63    65   0.00000  1.0 1.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    53   0.37150  1.0 1.0
   51    47    49    53   1.25400 -1.0 2.0
   51    47    49    53  -0.40250  1.0 3.0
   51    55    60    61   0.00000  1.0 1.0
   51    55    60    62   0.00000  1.0 1.0
   51    55    60    66   1.39750  1.0 1.0
   51    55    60    66  -0.07950 -1.0 2.0
   51    55    60    66  -0.18750  1.0 3.0
   52    51    55    56   2.45000 -1.0 2.0
   52    51    55    60   2.45000 -1.0 2.0
   55    60    66    67  -0.11250  1.0 3.0
   55    60    66    68  -0.11250  1.0 3.0
   55    60    66    69  -0.95700  1.0 1.0
   55    60    66    69  -0.18200 -1.0 2.0
   55    60    66    69   0.29450  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    66   0.30150 -1.0 2.0
   60    66    69    70   0.15000  1.0 3.0
   60    66    69    71  -1.63150  1.0 1.0
   60    66    69    71  -0.43550 -1.0 2.0
   60    66    69    71   0.24500  1.0 3.0
   60    66    69    74   1.36600  1.0 1.0
   60    66    69    74  -0.11450 -1.0 2.0
   60    66    69    74   0.24250  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   66    69    71    72   0.41150 -1.0 2.0
   66    69    71    73   0.41150 -1.0 2.0
   66    69    74    75   0.17350  1.0 3.0
   66    69    74    76   0.17350  1.0 3.0
   66    69    74    77   0.17350  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71  -0.11250  1.0 3.0
   67    66    69    74   0.19200  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71  -0.11250  1.0 3.0
   68    66    69    74   0.19200  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    74    75   0.13050  1.0 3.0
   70    69    74    76   0.13050  1.0 3.0
   70    69    74    77   0.13050  1.0 3.0
   71    69    74    75   0.17350  1.0 3.0
   71    69    74    76   0.17350  1.0 3.0
   71    69    74    77   0.17350  1.0 3.0
   74    69    71    72   0.30150 -1.0 2.0
   74    69    71    73   0.30150 -1.0 2.0
   41    33    38    39   0.56750  1.0 1.0
   41    33    38    39  -0.07550 -1.0 2.0
   41    33    38    39   0.20000  1.0 3.0
   41    33    38    40   0.23400  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  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
   47    53    49    50  10.50000 -1.0 2.0
   54    49    53    57   1.00000 -1.0 2.0
   64    57    63    65  10.50000 -1.0 2.0
   52    55    51    47   1.00000 -1.0 2.0
   51    60    55    56  10.50000 -1.0 2.0
   72    69    71    73  10.50000 -1.0 2.0
END
