* LIGAND DATABASE FILE (OPLS2005)
*
001      55    56    100    161     296
    1     0 S   NP   _N1_     1    28.78683    96.32087   -23.10226
    2     1 S   H    _HN1     2     1.02948    72.88924     5.45431
    3     1 S   H    _H1_     3     1.02828    37.57550   160.22938
    4     1 S   H    _H2_     4     1.02792   104.82473   -99.58491
    5     1 S   CT   _CA1     5     1.50119   138.74377   107.15527
    6     5 S   HC   _HA1     6     1.09575   105.18124    90.68723
    7     5 S   CO3  _C1_     7     1.53767   112.43050   -29.52959
    8     7 S   O2Z  _O11     8     1.26371   115.01141   -43.62440
    9     7 S   O2Z  _O12     9     1.26234   114.93304   135.42496
   10     5 S   CT   _CB1    10     1.53066   107.41006  -151.37266
   11    10 S   HC   HB11    11     1.09838   109.32018   -49.82907
   12    10 S   HC   HB12    12     1.09811   110.47707    66.75372
   13    10 S   CT   _CG1    13     1.53016   112.64142  -170.79098
   14    13 S   HC   HG11    14     1.09575   110.68688   -66.69930
   15    13 S   HC   HG12    15     1.09670   109.74072    52.54984
   16    13 S   C    _CD1    16     1.51812   112.07203   172.98832
   17    16 S   O    _OE1    17     1.22751   123.21705     9.75862
   18    16 S   N    _N2_    18     1.38650   111.79195  -170.21265
   19    18 S   H    _HN2    19     1.01584   118.99051     1.16952
   20    18 S   CT1  _CA2    20     1.46232   123.37081   176.84893
   21    20 S   HC   _HA2    21     1.09741   109.29315     6.40450
   22    20 S   C    _C2_    22     1.53667   108.80193  -109.06173
   23    22 S   O    _O2_    23     1.23078   122.25477  -148.80320
   24    20 S   CT   _CB2    32     1.53459   111.67556   128.37955
   25    24 S   HC   HB21    33     1.09509   109.60889    56.59967
   26    24 S   HC   HB22    34     1.09328   109.72548   175.32924
   27    22 S   N    _N3_    24     1.38319   113.85139    38.70856
   28    27 S   H    _HN3    25     1.01553   119.62015    -3.26848
   29    24 S   S    _SG2    35     1.82983   111.19294   -64.18435
   30    27 S   CT   _CA3    26     1.45289   123.26072   177.18283
   31    30 S   HC   HA31    27     1.09548   107.50654   -64.89441
   32    30 S   HC   HA32    28     1.09556   108.00058    51.56244
   33    29 S   CT   _C11    36     1.86282   101.46472  -174.39133
   34    30 S   CO3  _C3_    29     1.52971   114.04664   173.56367
   35    34 S   O2Z  _O31    30     1.26382   116.06549    -0.55036
   36    34 S   O2Z  _O32    31     1.26423   114.42324   179.51342
   37    33 S   CM   _C10    37     1.49849   109.35473   -59.20249
   38    37 S   HC   _H8_    38     1.08975   116.10029    81.47323
   39    33 S   CT   _C4_    50     1.54631   111.94052    71.13698
   40    39 S   HC   _H4_    51     1.09420   114.25410   -42.88927
   41    39 S   HC   _H5_    52     1.09961   109.85954  -162.33090
   42    37 S   CMA  _C9_    39     1.35111   125.73706   -96.86700
   43    42 S   OM   _O34    40     1.26206   129.27268   177.63537
   44    42 S   CO4  _C8_    41     1.52626   115.27425    -2.05424
   45    44 S   O    _O33    42     1.23047   122.86841   164.50043
   46    44 S   CM   _C7_    43     1.48602   118.49252   -19.11805
   47    46 S   HC   _H7_    44     1.08277   117.94095  -157.70126
   48    33 S   CM   _C6_    45     1.51420   107.51983   179.45896
   49    48 S   NE   _N4_    46     1.37085   108.74034   -89.38089
   50    49 S   H    _H6_    47     1.01305   121.82570  -173.24553
   51    49 S   CT1  _C5_    48     1.45290   113.49966    -9.89050
   52    51 S   HC   _H3_    49     1.09644   109.53759   104.22553
   53    51 S   CO3  _C12    53     1.53019   110.42856  -136.35225
   54    53 S   O2Z  _O36    54     1.26377   115.78448   138.32508
   55    53 S   O2Z  _O35    55     1.26572   115.31381   -43.32639
  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  11   5   4   3
  16   2   1   1  12   5  12   6   5   6   3   5   3   5   2   5
   6   3   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    51    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    51    52    39    40    41    53  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    51    39    40    41  
   42    43    44    48    39  
   40    41    53    54    55    42    46    48    49    50    51    52  
   41    53    48    49    51    52  
   53    48    49    51    52  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50    51  
   48    49  
   49    50    51    52    53  
   50    51    52    53    54    55  
   51    52    53  
   52    53    54    55  
   53    54    55  
   54    55  
   55  
    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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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  1.510
   33    48   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.476
   44    45   570.000  1.229
   44    46   320.000  1.462
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   425.000  1.378
   49    50   434.000  1.010
   49    51   382.000  1.448
   51    52   340.000  1.090
   51    39   268.000  1.529
   51    53   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   53    54   656.000  1.250
   53    55   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    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  112.20000
   29    33    48    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  124.00000
   33    48    49    75.00000  116.24600
   33    39    51    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  114.61000
   42    37    38    40.00000  120.50800
   42    44    45    80.00000  120.81000
   42    44    46    65.00000  118.65900
   44    42    43    85.00000  116.28000
   44    46    47    40.00000  117.72500
   44    46    48    65.00000  118.96000
   46    44    45    80.00000  123.72100
   46    48    49    70.00000  124.03900
   48    33    37    70.00000  110.12100
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  114.50000
   48    49    51    50.00000  121.00000
   49    51    52    35.00000  109.50000
   49    51    39    80.00000  111.61500
   49    51    53    63.00000  110.10000
   51    49    50    35.00000  112.50000
   51    39    40    37.50000  110.70000
   51    39    41    37.50000  110.70000
   51    53    54    70.00000  117.00000
   51    53    55    70.00000  117.00000
   39    33    37    70.00000  112.02700
   39    33    48    70.00000  112.02700
   39    51    52    37.50000  110.70000
   41    39    40    33.00000  107.80000
   53    51    52    35.00000  109.50000
   53    51    39    63.00000  111.10000
   55    53    54    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.42700  1.0 1.0
   29    33    48    46  -0.70350 -1.0 2.0
   29    33    48    46  -0.43150  1.0 3.0
   29    33    48    49   0.09700  1.0 1.0
   29    33    48    49   0.15600 -1.0 2.0
   29    33    48    49  -0.50800  1.0 3.0
   29    33    39    51   0.44750  1.0 1.0
   29    33    39    51  -0.17800 -1.0 2.0
   29    33    39    51   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    48    49    50   2.40850 -1.0 2.0
   33    48   -49    51   1.00000 -1.0 2.0
   37    33    48    46  -0.28300  1.0 1.0
   37    33    48    46   0.26700 -1.0 2.0
   37    33    48    46  -0.63300  1.0 3.0
   37    33    48    49  -1.35150  1.0 1.0
   37    33    48    49   0.13900 -1.0 2.0
   37    33    48    49   0.25250  1.0 3.0
   37    33    39    51   0.34400  1.0 1.0
   37    33    39    51   0.09450 -1.0 2.0
   37    33    39    51   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   1.00000 -1.0 2.0
   37    42   -44    46  -1.18350  1.0 1.0
   37    42   -44    46   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.93700 -1.0 2.0
   42    44    46    48  -1.18350  1.0 1.0
   42    44    46    48   1.45950 -1.0 2.0
   43    42    44    45  -0.11900  1.0 1.0
   43    42    44    45   0.76850 -1.0 2.0
   43    42    44    45   0.14100  1.0 3.0
   43    42    44    46   1.50000 -1.0 2.0
   44    46   -48    33   7.00000 -1.0 2.0
   44    46    48    49   7.00000 -1.0 2.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   1.00000 -1.0 2.0
   46    48    49    50   1.00000 -1.0 2.0
   46    48    49    51  -0.54700  1.0 1.0
   46    48    49    51   1.23000 -1.0 2.0
   47    46    48    33   7.00000 -1.0 2.0
   47    46    48    49   7.00000 -1.0 2.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42  -0.28300  1.0 1.0
   48    33   -37    42   0.26700 -1.0 2.0
   48    33   -37    42  -0.63300  1.0 3.0
   48    33   -39    51   0.34400  1.0 1.0
   48    33   -39    51   0.09450 -1.0 2.0
   48    33   -39    51   0.11100  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    49    51    52   0.00000  1.0 1.0
   48    49   -51    39   0.25450  1.0 1.0
   48    49   -51    39  -0.61700 -1.0 2.0
   48    49   -51    39  -0.23550  1.0 3.0
   48    49    51    53  -0.12500  1.0 1.0
   48    49    51    53  -0.12500 -1.0 2.0
   48    49    51    53   0.25000  1.0 3.0
   49    51   -39    33   1.26750  1.0 1.0
   49    51   -39    33  -0.00950 -1.0 2.0
   49    51   -39    33   0.30600  1.0 3.0
   49    51    39    40   0.22950  1.0 3.0
   49    51    39    41   0.22950  1.0 3.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.00000  1.0 1.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    39   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   52    51    39    33   0.15000  1.0 3.0
   52    51    39    40   0.15000  1.0 3.0
   52    51    39    41   0.15000  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.09850  1.0 1.0
   39    33    48    46   0.15250 -1.0 2.0
   39    33    48    46  -0.50650  1.0 3.0
   39    33   -48    49  -0.93550  1.0 1.0
   39    33   -48    49   0.38900 -1.0 2.0
   39    33   -48    49   0.16950  1.0 3.0
   39    51    53    54   0.00000  1.0 1.0
   39    51    53    55   0.00000  1.0 1.0
   53    51    39    33  -0.84850  1.0 1.0
   53    51    39    33  -0.22800 -1.0 2.0
   53    51    39    33   0.29250  1.0 3.0
   53    51    39    40  -0.03800  1.0 3.0
   53    51    39    41  -0.03800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   44    47    46    48   1.10000 -1.0 2.0
   33    49    48    46   1.10000 -1.0 2.0
   50    48    49    51   1.00000 -1.0 2.0
   54    51    53    55  10.50000 -1.0 2.0
END
