* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    112    172     329
    1     0 S   NP   _N1_     1    28.88782    97.26886   -25.26847
    2     1 S   H    _HN1     2     1.02794   116.82590   -86.09610
    3     1 S   H    _H1_     3     1.02947    62.69192    11.75131
    4     1 S   H    _H2_     4     1.02826    44.64556  -174.82199
    5     1 S   CT   _CA1     5     1.50130   130.03843   106.27600
    6     5 S   HC   _HA1     6     1.09572   105.16669   106.75234
    7     5 S   CO3  _C1_     7     1.53763   112.46946   -13.48005
    8     7 S   O2Z  _O11     8     1.26377   115.00145   -42.28071
    9     7 S   O2Z  _O12     9     1.26231   114.94208   136.75794
   10     5 S   CT   _CB1    10     1.53060   107.41175  -135.25264
   11    10 S   HC   HB11    11     1.09842   109.33967   -49.21056
   12    10 S   HC   HB12    12     1.09811   110.46385    67.37745
   13    10 S   CT   _CG1    13     1.53034   112.66089  -170.13698
   14    13 S   HC   HG11    14     1.09566   110.75621   -67.33348
   15    13 S   HC   HG12    15     1.09668   109.68779    51.92934
   16    13 S   C    _CD1    16     1.51814   111.93399   172.44054
   17    16 S   O    _OE1    17     1.22762   123.14814    13.32320
   18    16 S   N    _N2_    18     1.38651   111.88397  -166.77288
   19    18 S   H    _HN2    19     1.01588   119.01186     1.10252
   20    18 S   CT1  _CA2    20     1.46241   123.33022   176.30059
   21    20 S   HC   _HA2    21     1.09742   109.25749     7.24711
   22    20 S   C    _C2_    22     1.53707   108.92098  -108.19133
   23    22 S   O    _O2_    23     1.23076   122.22866  -149.94829
   24    20 S   CT   _CB2    32     1.53469   111.66472   129.17623
   25    24 S   HC   HB21    33     1.09506   109.57457    56.58419
   26    24 S   HC   HB22    34     1.09380   109.72300   175.37153
   27    22 S   N    _N3_    24     1.38310   113.89565    37.60780
   28    27 S   H    _HN3    25     1.01538   119.60973    -3.34381
   29    24 S   S    _SG2    35     1.83249   111.12354   -64.16920
   30    27 S   CT   _CA3    26     1.45282   123.30539   177.18068
   31    30 S   HC   HA31    27     1.09546   107.52062   -64.71276
   32    30 S   HC   HA32    28     1.09555   107.99585    51.75451
   33    29 S   CT   _C14    36     1.86265   101.69867  -174.18800
   34    33 S   Cl   Cl1_    37     1.80196   107.86906    67.68329
   35    30 S   CO3  _C3_    29     1.52980   114.01632   173.74972
   36    35 S   O2Z  _O31    30     1.26388   116.06777    -0.32264
   37    35 S   O2Z  _O32    31     1.26423   114.42520   179.73166
   38    33 S   CM   _C13    38     1.51295   108.67265  -176.31629
   39    38 S   HC   _H9_    39     1.09164   115.35359   -12.82506
   40    33 S   CO4  _C15    61     1.52632   108.09114   -50.89372
   41    40 S   O    _O36    62     1.22739   124.60037   107.22754
   42    38 S   CM   _C12    40     1.34315   130.91022   165.75423
   43    42 S   HC   _H8_    41     1.08746   117.87401  -176.85876
   44    40 S   CO3  _C16    63     1.51580   122.07931   -69.69258
   45    44 S   O2Z  _O34    64     1.26738   116.11994   172.04754
   46    44 S   O2Z  _O35    65     1.26567   116.33231    -7.60055
   47    42 S   CO4  _C11    42     1.49468   127.03403     2.24812
   48    47 S   O    _O33    43     1.22650   121.29347    24.00348
   49    47 S   CT   _C10    44     1.53884   115.95964  -158.32546
   50    49 S   HC   _H3_    45     1.10224   104.19153    37.41144
   51    49 S   CA   _C9_    46     1.52752   110.41386   -77.15542
   52    49 S   CT   _C17    57     1.55710   113.77051   152.10783
   53    52 S   Cl   Cl2_    58     1.79395   114.18338    66.65003
   54    52 S   Cl   Cl3_    59     1.80817   110.55489  -172.38081
   55    52 S   Cl   Cl4_    60     1.80340   110.38140   -55.29498
   56    51 S   CA   _C4_    47     1.40523   119.59428   131.18034
   57    56 S   HA   _H4_    48     1.08786   120.41043     0.09279
   58    56 S   CA   _C5_    49     1.39637   120.91777   180.00000
   59    58 S   HA   _H5_    50     1.08673   119.39336  -179.83687
   60    58 S   CA   _C6_    51     1.39245   119.70423     0.17246
   61    60 S   Cl   Cl5_    52     1.72151   119.81978   179.97202
   62    60 S   CA   _C7_    53     1.39268   120.35958     0.10087
   63    62 S   HA   _H6_    54     1.08682   120.87290   179.80416
   64    51 S   CA   _C8_    55     1.40398   122.01136   -48.38961
   65    64 S   HA   _H7_    56     1.08738   120.82756     0.24787
  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
  11   6   2   1   1   9   4   5   3   7   3   2   1   1  10   4
  12   7  13   5   2   1   1   8   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    40    41    44    45    46  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    47    48    49    40    41    44  
   42    43    47    40  
   41    44    45    46    42  
   44    45    46  
   43    47    48    49    50    51    52  
   47    48    49  
   45    46  
   46  
    0  
   48    49    50    51    56    64    52    53    54    55  
   49    50    51    52  
   50    51    56    57    58    62    64    65    52    53    54    55  
   51    56    64    52    53    54    55  
   56    57    58    59    60    62    63    64    65    52    53    54    55  
   53    54    55    56    64  
   54    55  
   55  
    0  
   57    58    59    60    61    62    64    65  
   58    59    60    64  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65  
   62    63    64  
   63    64    65  
   64    65  
   65  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.313400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   53   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   54   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   55   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   245.000  1.781
   33    38   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    47   320.000  1.462
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    52   268.000  1.529
   51    56   469.000  1.400
   51    64   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   300.000  1.725
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   52    53   245.000  1.781
   52    54   245.000  1.781
   52    55   245.000  1.781
   40    41   570.000  1.229
   40    44   250.000  1.524
   44    45   656.000  1.250
   44    46   656.000  1.250
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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    65.00000  114.64000
   38    33    34    75.00000  111.90500
   38    42    43    35.00000  120.00000
   38    42    47    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    47    48    80.00000  123.72100
   42    47    49    65.00000  118.62400
   47    42    43    40.00000  117.72500
   47    49    50    35.00000  109.50000
   47    49    51    70.00000  110.93000
   47    49    52    63.00000  111.10000
   49    47    48    80.00000  120.40000
   49    51    56    70.00000  120.00000
   49    51    64    70.00000  120.00000
   49    52    53    69.00000  109.80000
   49    52    54    69.00000  109.80000
   49    52    55    69.00000  109.80000
   51    49    50    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    58    63.00000  120.00000
   51    64    62    63.00000  120.00000
   51    64    65    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    75.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    75.00000  120.00000
   62    64    65    35.00000  120.00000
   64    51    56    63.00000  120.00000
   64    62    63    35.00000  120.00000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.17500
   54    52    53    80.00000  110.42200
   55    52    53    80.00000  110.42200
   55    52    54    80.00000  110.42200
   40    33    34    70.00000  110.66000
   40    33    38    70.00000  109.06800
   40    44    45    85.00000  112.82000
   40    44    46    85.00000  112.82000
   44    40    41    80.00000  120.92000
   46    44    45    80.00000  126.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.65300  1.0 1.0
   29    33    40    44  -0.03850 -1.0 2.0
   29    33    40    44   0.33900  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    40    44    45   0.49600 -1.0 2.0
   33    40    44    46   0.49600 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.09700  1.0 1.0
   34    33    38    42   0.15600 -1.0 2.0
   34    33    38    42  -0.50800  1.0 3.0
   34    33    40    41   0.30150 -1.0 2.0
   34    33    40    44   0.65300  1.0 1.0
   34    33    40    44  -0.03850 -1.0 2.0
   34    33    40    44   0.33900  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.65300  1.0 1.0
   38    33    40    44  -0.03850 -1.0 2.0
   38    33    40    44   0.33900  1.0 3.0
   38    42    47    48   1.00000 -1.0 2.0
   38    42    47    49  -0.33500  1.0 1.0
   38    42    47    49   1.06600 -1.0 2.0
   38    42    47    49  -0.14000  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   42    47    49    50   0.00000  1.0 1.0
   42    47    49    51   0.65300  1.0 1.0
   42    47    49    51  -0.03850 -1.0 2.0
   42    47    49    51   0.33900  1.0 3.0
   42    47    49    52   0.65300  1.0 1.0
   42    47    49    52  -0.03850 -1.0 2.0
   42    47    49    52   0.33900  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.04550  1.0 1.0
   43    42    47    49   0.83000 -1.0 2.0
   43    42    47    49  -0.04000  1.0 3.0
   47    49    51    56   0.04300 -1.0 2.0
   47    49    51    64   0.04300 -1.0 2.0
   47    49    52    53   0.56750  1.0 1.0
   47    49    52    53  -0.07550 -1.0 2.0
   47    49    52    53   0.20000  1.0 3.0
   47    49    52    54   0.56750  1.0 1.0
   47    49    52    54  -0.07550 -1.0 2.0
   47    49    52    54   0.20000  1.0 3.0
   47    49    52    55   0.56750  1.0 1.0
   47    49    52    55  -0.07550 -1.0 2.0
   47    49    52    55   0.20000  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.30150 -1.0 2.0
   48    47    49    52   0.30150 -1.0 2.0
   49    51    56    57   3.62500 -1.0 2.0
   49    51    56    58   3.62500 -1.0 2.0
   49    51    64    62   3.62500 -1.0 2.0
   49    51    64    65   3.62500 -1.0 2.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    51    64   0.00000  1.0 1.0
   50    49    52    53   0.27000  1.0 3.0
   50    49    52    54   0.27000  1.0 3.0
   50    49    52    55   0.27000  1.0 3.0
   51    49    52    53   0.56750  1.0 1.0
   51    49    52    53  -0.07550 -1.0 2.0
   51    49    52    53   0.20000  1.0 3.0
   51    49    52    54   0.56750  1.0 1.0
   51    49    52    54  -0.07550 -1.0 2.0
   51    49    52    54   0.20000  1.0 3.0
   51    49    52    55   0.56750  1.0 1.0
   51    49    52    55  -0.07550 -1.0 2.0
   51    49    52    55   0.20000  1.0 3.0
   51    56    58    59   3.62500 -1.0 2.0
   51    56    58    60   3.62500 -1.0 2.0
   56    51    64    62   3.62500 -1.0 2.0
   56    51    64    65   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    62   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60    62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62   -64    51   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   63    62    64    51   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    51    56    57   3.62500 -1.0 2.0
   64    51   -56    58   3.62500 -1.0 2.0
   52    49    51    56   0.04150 -1.0 2.0
   52    49    51    64   0.04150 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   41    40    44    45   0.06100 -1.0 2.0
   41    40    44    46   0.06100 -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
   33    39    38    42  15.00000 -1.0 2.0
   47    43    42    38  15.00000 -1.0 2.0
   42    49    47    48  10.50000 -1.0 2.0
   56    64    51    49   4.00000 -1.0 2.0
   58    57    56    51   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   4.00000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   62    65    64    51   1.10000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
