* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    157     299
    1     0 S   NP   _N1_     1    28.11066    96.09679   -22.39546
    2     1 S   H    _HN1     2     1.02774   101.56998  -130.08656
    3     1 S   H    _H1_     3     1.02944    79.34420   -23.36220
    4     1 S   H    _H2_     4     1.02832    32.73739   124.79580
    5     1 S   CT   _CA1     5     1.50198   138.57237    85.52203
    6     5 S   HC   _HA1     6     1.09581   105.15370    81.15190
    7     5 S   CO3  _C1_     7     1.53819   111.81518   -38.81417
    8     7 S   O2Z  _O11     8     1.26375   115.03294   -53.49822
    9     7 S   O2Z  _O12     9     1.26207   114.89749   124.78049
   10     5 S   CT   _CB1    10     1.53056   107.28981  -161.19151
   11    10 S   HC   HB11    11     1.09843   109.42376   -49.29491
   12    10 S   HC   HB12    12     1.09802   110.51498    67.26468
   13    10 S   CT   _CG1    13     1.53029   112.60914  -170.15769
   14    13 S   HC   HG11    14     1.09587   110.66769   -64.56425
   15    13 S   HC   HG12    15     1.09655   109.79986    54.65949
   16    13 S   C    _CD1    16     1.51884   111.87266   175.18289
   17    16 S   O    _OE1    17     1.22823   123.18825    10.11507
   18    16 S   N    _N2_    18     1.38450   112.04609  -170.29874
   19    18 S   H    _HN2    19     1.01895   119.07483     1.57806
   20    18 S   CT1  _CA2    20     1.45865   122.71716   179.52030
   21    20 S   HC   _HA2    21     1.09743   108.52122    31.95858
   22    20 S   C    _C2_    22     1.52990   107.45172   -85.31242
   23    22 S   O    _O2_    23     1.22943   123.03618   -28.12482
   24    20 S   CT   _CB2    32     1.53200   112.19254   154.96597
   25    24 S   HC   HB21    33     1.09335   109.58478    57.41503
   26    24 S   HC   HB22    34     1.09529   110.71286   175.35160
   27    22 S   N    _N3_    24     1.38656   112.34015   154.52611
   28    27 S   H    _HN3    25     1.01500   119.67055     1.40917
   29    24 S   S    _SG2    35     1.82619   110.91473   -65.21680
   30    27 S   CT   _CA3    26     1.45454   122.90874   176.21514
   31    30 S   HC   HA31    27     1.09535   109.02766    28.86036
   32    30 S   HC   HA32    28     1.09484   107.16784   145.93701
   33    29 S   CT   _C10    36     1.85047   100.31199   148.10968
   34    33 S   HC   _H3_    37     1.09651   104.63460    50.91610
   35    30 S   CO3  _C3_    29     1.53004   113.43150   -94.33147
   36    35 S   O2Z  _O31    30     1.26383   115.65998   -36.46448
   37    35 S   O2Z  _O32    31     1.26392   114.81396   144.49362
   38    33 S   CT   _C8_    38     1.54520   112.85364   -67.14503
   39    38 S   HC   _H18    39     1.09835   107.63572    80.07674
   40    38 S   CM   _C4_    40     1.50883   113.22553  -163.15921
   41    40 S   HC   _H16    41     1.08766   117.25298  -168.21617
   42    38 S   CO3  _C6_    54     1.54611   116.26074   -40.66748
   43    42 S   O2Z  _O9_    55     1.26680   114.34603   121.13424
   44    42 S   O2Z  _O33    56     1.26272   116.43018   -58.37902
   45    40 S   CM   _C5_    42     1.33962   124.05673    11.34920
   46    45 S   HC   _H17    43     1.08781   118.39485  -179.38962
   47    45 S   CT   _C11    44     1.50856   123.85741     0.73142
   48    33 S   CT   _C9_    45     1.54599   109.99108   166.81804
   49    48 S   HC   _H19    46     1.09749   109.70194    59.71623
   50    47 S   CO3  _C7_    49     1.56014   105.11540  -113.54783
   51    50 S   O2Z  _O10    50     1.26370   116.21208   105.74686
   52    50 S   O2Z  _O34    51     1.26778   114.91494   -74.74895
   53    47 S   OH   _O14    52     1.43834   107.82161   132.43170
   54    53 S   HO   _H22    53     0.97447   107.11931    74.28635
   55    48 S   OH   _O13    47     1.43451   110.86240   -56.09568
   56    55 S   HO   _H21    48     0.97464   107.10075   -59.63809
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  12   7  10   4   4   1   1  10   4   9   8
   4   5   2   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    48    49    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    49    55    56    50    53    42    43    44  
   38    39    40    47    48    49    55    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    48    49    55    42    43    44  
   40    41    45    48    42    43    44  
   41    45    46    47    48    50    53    42    43    44  
   45    46    47    42  
   43    44    45    48  
   44  
    0  
   46    47    48    49    55    50    51    52    53    54  
   47    48    50    53  
   48    49    55    56    50    51    52    53    54  
   49    55    56    50    51    52    53    54  
   55    56    50    53  
   51    52    53    54    55  
   52    53  
   53  
   54    55  
    0  
   56  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    42   317.000  1.522
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   268.000  1.529
   47    50   317.000  1.522
   47    53   320.000  1.410
   48    49   340.000  1.090
   48    55   320.000  1.410
   55    56   553.000  0.945
   50    51   656.000  1.250
   50    52   656.000  1.250
   53    54   553.000  0.945
   42    43   656.000  1.250
   42    44   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    42    70.00000  109.69300
   33    48    47    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    35.00000  117.00000
   38    40    45    70.00000  124.00000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    45    46    35.00000  120.00000
   40    45    47    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    47    48    70.00000  112.02700
   45    47    50    65.00000  111.94000
   45    47    53    90.00000  110.39200
   47    45    46    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    55    50.00000  109.50000
   47    50    51    70.00000  117.00000
   47    50    52    70.00000  117.00000
   47    53    54    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    55    56    55.00000  108.50000
   55    48    49    35.00000  109.50000
   50    47    48    70.00000  109.69300
   52    50    51    80.00000  126.00000
   53    47    48    50.00000  109.50000
   53    47    50    95.00000  109.52300
   42    38    39    35.00000  109.50000
   42    38    40    65.00000  111.94000
   44    42    43    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   0.32350  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    47   0.44750  1.0 1.0
   29    33    48    47  -0.17800 -1.0 2.0
   29    33    48    47   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    55   0.56750  1.0 1.0
   29    33    48    55  -0.07550 -1.0 2.0
   29    33    48    55   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    45   0.09850  1.0 1.0
   33    38    40    45   0.15250 -1.0 2.0
   33    38    40    45  -0.50650  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   33    48    55    56  -0.11600  1.0 1.0
   33    48    55    56  -0.09450 -1.0 2.0
   33    48    55    56   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    48    47   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    55   0.23400  1.0 3.0
   38    33    48    47   0.56750  1.0 1.0
   38    33    48    47  -0.07550 -1.0 2.0
   38    33    48    47   0.20000  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    55   0.86500  1.0 1.0
   38    33    48    55  -0.17500 -1.0 2.0
   38    33    48    55   0.20800  1.0 3.0
   38    40    45    46   7.00000 -1.0 2.0
   38    40   -45    47   7.00000 -1.0 2.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    44   0.30150 -1.0 2.0
   40    45    47    48   0.09850  1.0 1.0
   40    45    47    48   0.15250 -1.0 2.0
   40    45    47    48  -0.50650  1.0 3.0
   40    45    47    50  -0.51250  1.0 1.0
   40    45    47    50  -0.88800 -1.0 2.0
   40    45    47    50   0.08850  1.0 3.0
   40    45    47    53   0.67800  1.0 1.0
   40    45    47    53   0.47050 -1.0 2.0
   40    45    47    53  -0.62500  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    47   7.00000 -1.0 2.0
   45    47   -48    33   0.34400  1.0 1.0
   45    47   -48    33   0.09450 -1.0 2.0
   45    47   -48    33   0.11100  1.0 3.0
   45    47    48    49   0.15000  1.0 3.0
   45    47    48    55   1.05650  1.0 1.0
   45    47    48    55   0.15600 -1.0 2.0
   45    47    48    55   0.53150  1.0 3.0
   45    47    50    51   0.30150 -1.0 2.0
   45    47    50    52   0.30150 -1.0 2.0
   45    47    53    54  -0.07800  1.0 1.0
   45    47    53    54  -0.21500 -1.0 2.0
   45    47    53    54  -0.03150  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    50   0.00000  1.0 1.0
   46    45    47    53   0.00000  1.0 1.0
   47    48    55    56  -0.11600  1.0 1.0
   47    48    55    56  -0.09450 -1.0 2.0
   47    48    55    56   0.21250  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   0.34400  1.0 1.0
   48    33   -38    40   0.09450 -1.0 2.0
   48    33   -38    40   0.11100  1.0 3.0
   48    33    38    42  -1.63150  1.0 1.0
   48    33    38    42  -0.43550 -1.0 2.0
   48    33    38    42   0.24500  1.0 3.0
   48    47    50    51   0.41150 -1.0 2.0
   48    47    50    52   0.41150 -1.0 2.0
   48    47    53    54  -0.11600  1.0 1.0
   48    47    53    54  -0.09450 -1.0 2.0
   48    47    53    54   0.21250  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   50    47    48    33  -1.63150  1.0 1.0
   50    47    48    33  -0.43550 -1.0 2.0
   50    47    48    33   0.24500  1.0 3.0
   50    47    48    49  -0.11250  1.0 3.0
   50    47    48    55  -5.33000  1.0 1.0
   50    47    48    55  -0.54250 -1.0 2.0
   50    47    48    55  -0.07300  1.0 3.0
   50    47    53    54   0.91850  1.0 1.0
   50    47    53    54   0.57950  1.0 3.0
   53    47    48    33   0.86500  1.0 1.0
   53    47    48    33  -0.17500 -1.0 2.0
   53    47    48    33   0.20800  1.0 3.0
   53    47    48    49   0.23400  1.0 3.0
   53    47    48    55   3.75450  1.0 1.0
   53    47    50    51   0.30150 -1.0 2.0
   53    47    50    52   0.30150 -1.0 2.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45  -0.51250  1.0 1.0
   42    38    40    45  -0.88800 -1.0 2.0
   42    38    40    45   0.08850  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
   37    30    35    36  10.50000 -1.0 2.0
   38    41    40    45   1.10000 -1.0 2.0
   47    46    45    40   1.10000 -1.0 2.0
   51    47    50    52  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
