* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57     99    154     295
    1     0 S   NP   _N1_     1    29.26063    94.26308   -23.77966
    2     1 S   H    _HN1     2     1.02784   108.20272   -92.76691
    3     1 S   H    _H1_     3     1.02953    83.23951    14.38424
    4     1 S   H    _H2_     4     1.02824    25.50821   173.62551
    5     1 S   CT   _CA1     5     1.50123   129.56095   125.29136
    6     5 S   HC   _HA1     6     1.09573   105.19640    79.35605
    7     5 S   CO3  _C1_     7     1.53792   112.47146   -40.86401
    8     7 S   O2Z  _O11     8     1.26373   115.00918   -41.69767
    9     7 S   O2Z  _O12     9     1.26241   114.94849   137.41162
   10     5 S   CT   _CB1    10     1.53061   107.39224  -162.66088
   11    10 S   HC   HB11    11     1.09832   109.35745   -49.63621
   12    10 S   HC   HB12    12     1.09818   110.43112    66.95495
   13    10 S   CT   _CG1    13     1.52986   112.65204  -170.64254
   14    13 S   HC   HG11    14     1.09583   110.58729   -65.38353
   15    13 S   HC   HG12    15     1.09665   109.85944    53.89390
   16    13 S   C    _CD1    16     1.51775   112.20261   174.29669
   17    16 S   O    _OE1    17     1.22710   123.25545     4.56471
   18    16 S   N    _N2_    18     1.38641   111.67403  -175.43911
   19    18 S   H    _HN2    19     1.01576   118.96750     1.82885
   20    18 S   CT1  _CA2    20     1.46096   123.37343   178.46596
   21    20 S   HC   _HA2    21     1.09553   109.41561     1.57557
   22    20 S   C    _C2_    22     1.53550   108.91581  -113.55378
   23    22 S   O    _O2_    23     1.23074   122.17191  -149.61006
   24    20 S   CT   _CB2    32     1.53310   111.57707   124.11659
   25    24 S   HC   HB21    33     1.09695   109.28544    62.50194
   26    24 S   HC   HB22    34     1.09455   111.20798   179.05291
   27    22 S   N    _N3_    24     1.38304   113.79284    37.79260
   28    27 S   H    _HN3    25     1.01590   119.54100    -3.00348
   29    24 S   S    _SG2    35     1.83008   115.03156   -56.63515
   30    27 S   CT   _CA3    26     1.45280   123.20176   177.10187
   31    30 S   HC   HA31    27     1.09549   107.46711   -65.67703
   32    30 S   HC   HA32    28     1.09558   108.02779    50.75464
   33    29 S   CT   _C7_    36     1.84876   101.59838   -62.52211
   34    33 S   HC   _H4_    37     1.09593   107.17427    56.24473
   35    30 S   CO3  _C3_    29     1.52951   114.11638   172.80669
   36    35 S   O2Z  _O31    30     1.26368   116.09249    -0.33572
   37    35 S   O2Z  _O32    31     1.26435   114.40546   179.74977
   38    33 S   CT   _C6_    38     1.54102   112.41427   -64.63689
   39    38 S   HC   _H3_    39     1.09628   109.19698    64.34793
   40    38 S   CM   _C5_    40     1.51154   111.26103  -174.42290
   41    38 S   OH   _O35    56     1.42875   110.29854   -54.48528
   42    41 S   HO   _H8_    57     0.97227   107.66131   171.60179
   43    40 S   CM   _C4_    41     1.34265   122.97725    24.80619
   44    43 S   HC   _H6_    42     1.08500   122.50403  -179.55809
   45    40 S   CM   _C10    49     1.45315   115.74454  -154.75049
   46    45 S   HC   _H9_    50     1.08841   114.86589   -60.93486
   47    43 S   CO4  _C9_    43     1.48344   120.73148     0.90720
   48    47 S   O    _O33    44     1.23087   119.19837  -179.58741
   49    45 S   CM   _C11    51     1.34047   127.40099   118.56286
   50    49 S   HC   _H10    52     1.09019   117.58317   177.76717
   51    33 S   CT   _C8_    45     1.53446   109.08431   172.78191
   52    51 S   HC   _H5_    46     1.09665   112.05561    58.53640
   53    49 S   CO3  _C12    53     1.53388   125.43793    -2.09013
   54    53 S   O2Z  _O37    54     1.26263   116.38335   -39.34231
   55    53 S   O2Z  _O36    55     1.26515   114.04723   142.40813
   56    51 S   OH   _O34    47     1.42375   110.27297   -62.64906
   57    56 S   HO   _H7_    48     0.97307   107.34405  -179.63150
  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
  14   8   2   1   1  13   6  12   4   1   9   4   7   3   5   3
   4   3   3   2   2   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    51    52    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    51    52    56    57    45    41    42  
   38    39    40    47    51    52    56    41  
   36    37  
   37  
    0  
   39    40    43    44    47    51    52    56    45    46    49    41    42  
   40    43    51    45    41    42  
   43    44    47    48    51    45    46    49    50    53    41    42  
   42    43    45    51  
    0  
   44    47    48    51    52    56    45    46    49  
   47    48    51    45  
   46    49    50    53    54    55    47  
   49    50    53  
   48    51    52    56    57  
   51    52    56  
   50    53    54    55  
   53    54    55  
   52    56    57  
   56    57  
   54    55  
   55  
    0  
   57  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   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   3.7500   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   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.910300   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
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   549.000  1.340
   40    45   380.000  1.444
   43    44   340.000  1.080
   43    47   320.000  1.462
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    56   320.000  1.410
   56    57   553.000  0.945
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   340.000  1.080
   49    53   230.000  1.545
   53    54   656.000  1.250
   53    55   656.000  1.250
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    41    50.00000  109.50000
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  124.00000
   38    40    45    70.00000  124.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  120.00000
   40    43    47    65.00000  118.96000
   40    45    46    35.00000  120.00000
   40    45    49    70.00000  123.01800
   43    47    48    80.00000  123.72100
   43    47    51    65.00000  118.62400
   47    43    44    40.00000  117.72500
   47    51    52    35.00000  109.50000
   47    51    56    90.00000  109.61100
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    47    48    80.00000  120.40000
   51    56    57    55.00000  108.50000
   56    51    52    35.00000  109.50000
   45    40    43    70.00000  123.01800
   45    49    50    35.00000  120.00000
   45    49    53    55.00000  124.75400
   49    45    46    35.00000  120.00000
   49    53    54    85.00000  113.83300
   49    53    55    85.00000  113.83300
   53    49    50    40.00000  118.53000
   55    53    54    80.00000  126.00000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  110.39200
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    56   0.56750  1.0 1.0
   29    33    51    56  -0.07550 -1.0 2.0
   29    33    51    56   0.20000  1.0 3.0
   33    38    40    43   0.09850  1.0 1.0
   33    38    40    43   0.15250 -1.0 2.0
   33    38    40    43  -0.50650  1.0 3.0
   33    38    40    45   0.98200  1.0 1.0
   33    38    40    45  -0.11900 -1.0 2.0
   33    38    40    45   0.24250  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    51    56    57  -0.11600  1.0 1.0
   33    51    56    57  -0.09450 -1.0 2.0
   33    51    56    57   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    41   0.23400  1.0 3.0
   34    33    51    47  -0.11250  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    56   0.23400  1.0 3.0
   38    33    51    47  -0.95700  1.0 1.0
   38    33    51    47  -0.18200 -1.0 2.0
   38    33    51    47   0.29450  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    56   0.86500  1.0 1.0
   38    33    51    56  -0.17500 -1.0 2.0
   38    33    51    56   0.20800  1.0 3.0
   38    40    43    44   7.00000 -1.0 2.0
   38    40   -43    47   7.00000 -1.0 2.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    49  -0.18600  1.0 3.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.07800  1.0 1.0
   40    38    41    42  -0.21500 -1.0 2.0
   40    38    41    42  -0.03150  1.0 3.0
   40    43    47    48   1.00000 -1.0 2.0
   40    43    47    51  -0.33500  1.0 1.0
   40    43    47    51   1.06600 -1.0 2.0
   40    43    47    51  -0.14000  1.0 3.0
   40    45    49    50   7.00000 -1.0 2.0
   40    45    49    53   7.00000 -1.0 2.0
   43    40    45    46  -0.18600  1.0 3.0
   43    40    45    49   0.28850  1.0 1.0
   43    40    45    49   2.61350 -1.0 2.0
   43    40    45    49   0.78400  1.0 3.0
   43    47   -51    33   0.65300  1.0 1.0
   43    47   -51    33  -0.03850 -1.0 2.0
   43    47   -51    33   0.33900  1.0 3.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    56   0.65300  1.0 1.0
   43    47    51    56  -0.03850 -1.0 2.0
   43    47    51    56   0.33900  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    51   0.04550  1.0 1.0
   44    43    47    51   0.83000 -1.0 2.0
   44    43    47    51  -0.04000  1.0 3.0
   47    51    56    57   0.91850  1.0 1.0
   47    51    56    57   0.57950  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    56   0.30150 -1.0 2.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.34400  1.0 1.0
   51    33   -38    40   0.09450 -1.0 2.0
   51    33   -38    40   0.11100  1.0 3.0
   51    33    38    41   0.86500  1.0 1.0
   51    33    38    41  -0.17500 -1.0 2.0
   51    33    38    41   0.20800  1.0 3.0
   52    51    56    57   0.19450  1.0 3.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    47   7.00000 -1.0 2.0
   45    49    53    54  -0.04000 -1.0 2.0
   45    49    53    54  -0.29050  1.0 3.0
   45    49    53    55  -0.04000 -1.0 2.0
   45    49    53    55  -0.29050  1.0 3.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   41    38    40    43   0.67800  1.0 1.0
   41    38    40    43   0.47050 -1.0 2.0
   41    38    40    43  -0.62500  1.0 3.0
   41    38    40    45  -0.17300  1.0 1.0
   41    38    40    45   0.35150 -1.0 2.0
   41    38    40    45   0.31550  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    40    43   1.10000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   43    51    47    48  10.50000 -1.0 2.0
   40    46    45    49  15.00000 -1.0 2.0
   53    50    49    45  15.00000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
END
