* LIGAND DATABASE FILE (OPLS2005)
*
001      67    67    122    177     353
    1     0 S   NP   _N1_     1    28.90427    94.99516   -23.97529
    2     1 S   H    _HN1     2     1.02828    32.01715  -178.01209
    3     1 S   H    _H1_     3     1.02785   109.27609   -84.88659
    4     1 S   H    _H2_     4     1.02951    76.60593    20.16911
    5     1 S   CT   _CA1     5     1.50104   132.37638   125.71432
    6     5 S   HC   _HA1     6     1.09573   105.20745    87.35571
    7     5 S   CO3  _C1_     7     1.53796   112.46742   -32.89935
    8     7 S   O2Z  _O11     8     1.26371   115.00957   -42.55247
    9     7 S   O2Z  _O12     9     1.26241   114.95114   136.63424
   10     5 S   CT   _CB1    10     1.53086   107.42642  -154.64767
   11    10 S   HC   HB11    11     1.09831   109.39803   -49.75520
   12    10 S   HC   HB12    12     1.09813   110.43639    66.86227
   13    10 S   CT   _CG1    13     1.52979   112.58661  -170.73957
   14    13 S   HC   HG11    14     1.09586   110.60689   -65.06828
   15    13 S   HC   HG12    15     1.09669   109.81042    54.15531
   16    13 S   C    _CD1    16     1.51793   112.28057   174.62400
   17    16 S   O    _OE1    17     1.22724   123.31637     5.62574
   18    16 S   N    _N2_    18     1.38639   111.61606  -174.51309
   19    18 S   H    _HN2    19     1.01585   118.94446     1.87033
   20    18 S   CT1  _CA2    20     1.46198   123.43168   177.91766
   21    20 S   HC   _HA2    21     1.09740   109.37600     1.35046
   22    20 S   C    _C2_    22     1.53537   108.75283  -114.11244
   23    22 S   O    _O2_    23     1.23055   122.26978  -149.23106
   24    20 S   CT   _CB2    32     1.53355   111.41254   123.35139
   25    24 S   HC   HB21    33     1.09515   109.80256    55.36992
   26    24 S   HC   HB22    34     1.09400   109.94272   174.36594
   27    22 S   N    _N3_    24     1.38323   113.71057    38.31952
   28    27 S   H    _HN3    25     1.01589   119.57407    -3.45972
   29    24 S   S    _SG2    35     1.82997   111.18764   -65.91729
   30    27 S   CT   _CA3    26     1.45282   123.20239   177.04382
   31    30 S   HC   HA31    27     1.09550   107.52356   -64.27727
   32    30 S   HC   HA32    28     1.09557   107.96971    52.15873
   33    29 S   CT   _C9_    36     1.85419   100.56806   171.80938
   34    30 S   CO3  _C3_    29     1.52953   114.08063   174.15306
   35    34 S   O2Z  _O31    30     1.26375   116.06925    -0.40397
   36    34 S   O2Z  _O32    31     1.26428   114.41214   179.65113
   37    33 S   CO4  _C7_    37     1.53465   106.95706    64.48996
   38    37 S   O    _O14    38     1.23193   122.20004  -100.89817
   39    33 S   OS   _O15    63     1.43461   112.64803   -50.66920
   40    37 S   CM   _C5_    39     1.49719   118.38477    77.22235
   41    39 S   CT   _C11    64     1.42086   116.55602   -72.85932
   42    41 S   HC   _H23    65     1.09374   107.87558   172.22575
   43    41 S   HC   _H24    66     1.09309   111.77227    53.49811
   44    41 S   HC   _H25    67     1.09330   110.83448   -70.04507
   45    40 S   CM   _C4_    40     1.33878   119.73636    18.60071
   46    45 S   HC   _H17    41     1.08532   121.35663  -179.70525
   47    40 S   CT   _C12    47     1.50680   117.87404  -162.71499
   48    47 S   HC   _H26    48     1.09782   110.03191  -164.85352
   49    47 S   HC   _H27    49     1.09703   109.66320   -48.85732
   50    45 S   CO4  _C6_    42     1.47880   122.37677     1.80591
   51    50 S   O    _O13    43     1.22959   119.56319  -178.65041
   52    47 S   CT   _C14    50     1.53221   111.88723    73.73611
   53    52 S   HC   _H30    51     1.09667   110.13284   -59.66360
   54    52 S   HC   _H31    52     1.09742   109.69904    57.76430
   55    33 S   CT   _C8_    44     1.53040   110.59848  -176.73583
   56    55 S   HC   _H18    45     1.09796   110.17372   169.77838
   57    55 S   HC   _H19    46     1.09715   110.81091    51.94284
   58    52 S   CT   _C15    53     1.52988   111.28768   179.08464
   59    58 S   HC   _H32    54     1.09683   109.56143    58.47819
   60    58 S   HC   _H33    55     1.09680   109.59929   -58.83761
   61    58 S   CT   _C13    56     1.52855   111.27538   179.80416
   62    61 S   HC   _H28    57     1.09627   109.86806   -58.82693
   63    61 S   HC   _H29    58     1.09623   109.86388    58.88983
   64    61 S   CT   _C10    59     1.52031   111.49430  -179.97202
   65    64 S   HC   _H20    60     1.09468   111.00091   -60.26183
   66    64 S   HC   _H21    61     1.09448   110.25943   180.00000
   67    64 S   HC   _H22    62     1.09467   111.00002    60.25895
  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
  15   2   1   1  14   5   9  12   4   2   1   1  10   4  10   5
   4   4   3   9   5   4   2   1   1   9   5   4   6   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    50    55    56    57    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    50    51    55    56    57    47    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    50    55    56    57    47    48    49    52    39    41  
   40    45    55    47    39  
   41    42    43    44    40    50    55    56    57  
   45    46    50    51    55    47    48    49    52    53    54    58  
   42    43    44    55  
   43    44  
   44  
    0  
   46    50    51    55    56    57    47    48    49    52  
   50    51    55    47  
   48    49    52    53    54    58    59    60    61    50  
   49    52    53    54    58  
   52    53    54    58  
   51    55    56    57  
   55    56    57  
   53    54    58    59    60    61    62    63    64  
   54    58    59    60    61  
   58    59    60    61  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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  -0.316400   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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    55   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    47   317.000  1.510
   45    46   340.000  1.080
   45    50   320.000  1.462
   50    51   570.000  1.229
   50    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   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   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    55    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    55    50    63.00000  111.10000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    47    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    46    35.00000  120.00000
   40    45    50    65.00000  118.96000
   40    47    48    35.00000  109.50000
   40    47    49    35.00000  109.50000
   40    47    52    70.00000  112.02700
   45    50    51    80.00000  123.72100
   45    50    55    65.00000  118.62400
   50    45    46    40.00000  117.72500
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   55    33    37    63.00000  111.10000
   55    50    51    80.00000  120.40000
   57    55    56    33.00000  107.80000
   47    40    45    70.00000  124.00000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    58    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   54    52    53    33.00000  107.80000
   58    52    53    37.50000  110.70000
   58    52    54    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   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    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    55    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    55    50   0.56750  1.0 1.0
   29    33    55    50  -0.07550 -1.0 2.0
   29    33    55    50   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    47   0.25700  1.0 1.0
   33    37    40    47   0.66200 -1.0 2.0
   33    37    40    47   0.04450  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    55    50   0.11950  1.0 1.0
   37    33    55    50   0.20300 -1.0 2.0
   37    33    55    50  -0.70800  1.0 3.0
   37    33    55    56  -0.11250  1.0 3.0
   37    33    55    57  -0.11250  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40    45    46   7.00000 -1.0 2.0
   37    40   -45    50   7.00000 -1.0 2.0
   37    40    47    48   0.15000  1.0 3.0
   37    40    47    49   0.15000  1.0 3.0
   37    40    47    52   0.09700  1.0 1.0
   37    40    47    52   0.15600 -1.0 2.0
   37    40    47    52  -0.50800  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    47  -0.64400  1.0 1.0
   38    37    40    47   0.26850 -1.0 2.0
   40    45    50    51   1.00000 -1.0 2.0
   40    45    50    55  -0.33500  1.0 1.0
   40    45    50    55   1.06600 -1.0 2.0
   40    45    50    55  -0.14000  1.0 3.0
   40    47    52    53   0.15000  1.0 3.0
   40    47    52    54   0.15000  1.0 3.0
   40    47    52    58   0.34400  1.0 1.0
   40    47    52    58   0.09450 -1.0 2.0
   40    47    52    58   0.11100  1.0 3.0
   45    40    47    48   0.00000  1.0 1.0
   45    40    47    49   0.00000  1.0 1.0
   45    40    47    52   0.09850  1.0 1.0
   45    40    47    52   0.15250 -1.0 2.0
   45    40    47    52  -0.50650  1.0 3.0
   45    50   -55    33   0.65300  1.0 1.0
   45    50   -55    33  -0.03850 -1.0 2.0
   45    50   -55    33   0.33900  1.0 3.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    57   0.00000  1.0 1.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    55   0.04550  1.0 1.0
   46    45    50    55   0.83000 -1.0 2.0
   46    45    50    55  -0.04000  1.0 3.0
   51    50    55    33   0.30150 -1.0 2.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   55    33    37    38   0.30150 -1.0 2.0
   55    33   -37    40   0.65300  1.0 1.0
   55    33   -37    40  -0.03850 -1.0 2.0
   55    33   -37    40   0.33900  1.0 3.0
   55    33    39    41   0.06250  1.0 1.0
   55    33    39    41  -0.01100 -1.0 2.0
   55    33    39    41   0.28050  1.0 3.0
   47    40    45    46   7.00000 -1.0 2.0
   47    40    45    50   7.00000 -1.0 2.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.56750  1.0 1.0
   47    52    58    61  -0.07550 -1.0 2.0
   47    52    58    61   0.20000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    58   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    58   0.15000  1.0 3.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.15000  1.0 3.0
   52    58    61    64   0.56750  1.0 1.0
   52    58    61    64  -0.07550 -1.0 2.0
   52    58    61    64   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   54    52    58    59   0.15000  1.0 3.0
   54    52    58    60   0.15000  1.0 3.0
   54    52    58    61   0.15000  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   0.15000  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   0.15000  1.0 3.0
   60    58    61    64   0.15000  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   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    55    50  -0.09450  1.0 1.0
   39    33    55    50  -1.12950 -1.0 2.0
   39    33    55    50   0.54000  1.0 3.0
   39    33    55    56   0.23400  1.0 3.0
   39    33    55    57   0.23400  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    47    40    45   1.10000 -1.0 2.0
   50    46    45    40   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
END
