* LIGAND DATABASE FILE (OPLS2005)
*
001      58    59    105    155     299
    1     0 S   NP   _N1_     1    29.22421    92.99737   -23.12321
    2     1 S   H    _HN1     2     1.02780    99.31440   -98.06927
    3     1 S   H    _H1_     3     1.02960    95.69306    11.59325
    4     1 S   H    _H2_     4     1.02831    18.02797   141.76104
    5     1 S   CT   _CA1     5     1.50119   128.61799   133.44561
    6     5 S   HC   _HA1     6     1.09573   105.24041    61.92242
    7     5 S   CO3  _C1_     7     1.53801   112.41630   -58.30327
    8     7 S   O2Z  _O11     8     1.26362   115.02239   -42.76939
    9     7 S   O2Z  _O12     9     1.26238   114.92916   136.43135
   10     5 S   CT   _CB1    10     1.53070   107.40239   179.86012
   11    10 S   HC   HB11    11     1.09828   109.38689   -50.54876
   12    10 S   HC   HB12    12     1.09801   110.35556    65.93656
   13    10 S   CT   _CG1    13     1.53005   112.72646  -171.61555
   14    13 S   HC   HG11    14     1.09593   110.47803   -62.87207
   15    13 S   HC   HG12    15     1.09639   110.01618    56.45270
   16    13 S   C    _CD1    16     1.51733   112.21124   176.92993
   17    16 S   O    _OE1    17     1.22737   123.28023    -1.11698
   18    16 S   N    _N2_    18     1.38694   111.74676   178.79943
   19    18 S   H    _HN2    19     1.01574   119.18750     3.12950
   20    18 S   CT1  _CA2    20     1.45977   123.07022  -177.92039
   21    20 S   HC   _HA2    21     1.09554   109.13050     1.10959
   22    20 S   C    _C2_    22     1.53546   109.53798  -114.07051
   23    22 S   O    _O2_    23     1.23070   121.85480  -149.84133
   24    20 S   CT   _CB2    32     1.53537   111.89400   123.03863
   25    24 S   HC   HB21    33     1.09684   109.26133    69.65579
   26    24 S   HC   HB22    34     1.09491   110.52844  -173.90529
   27    22 S   N    _N3_    24     1.38386   113.81167    37.66136
   28    27 S   H    _HN3    25     1.01480   119.00658    -0.80939
   29    24 S   S    _SG2    35     1.83198   115.64860   -49.40849
   30    27 S   CT   _CA3    26     1.45477   123.61825   175.09591
   31    30 S   HC   HA31    27     1.09513   109.45532    19.98050
   32    30 S   HC   HA32    28     1.09506   107.06132   137.02526
   33    29 S   CT   _C10    36     1.83882   101.38275   -63.91999
   34    33 S   HC   _H3_    37     1.09401   109.37914    35.46729
   35    30 S   CO3  _C3_    29     1.52926   112.98983  -103.64925
   36    35 S   O2Z  _O31    30     1.26417   115.36968   -44.81748
   37    35 S   O2Z  _O32    31     1.26350   115.00496   136.08293
   38    33 S   CO4  _C8_    38     1.54210   109.77906   -82.21683
   39    38 S   O    _O33    39     1.22665   123.84952    27.85717
   40    33 S   CT   _C11    48     1.55292   108.35233   153.44708
   41    40 S   HC   _H18    49     1.10014   110.05635    52.70661
   42    38 S   C5BC _C5_    40     1.44705   115.20523  -156.28396
   43    40 S   OS   _O14    50     1.42793   108.70435   -69.50692
   44    42 S   C5BC _C4_    41     1.41359   132.51998  -170.10970
   45    44 S   HA   _H16    42     1.08110   127.73214    -0.77708
   46    43 S   CT   _C13    51     1.42174   113.04354   142.13835
   47    46 S   HC   _H22    52     1.09264   108.28401   177.13618
   48    46 S   HC   _H23    53     1.09375   111.03014    57.96172
   49    46 S   HC   _H24    54     1.09417   110.23913   -64.31556
   50    44 S   C5A  _C7_    43     1.38155   106.06775   178.26901
   51    50 S   OA   _O13    44     1.36641   110.43126     0.47230
   52    50 S   CT   _C12    55     1.47496   133.40144  -179.42939
   53    52 S   HC   _H19    56     1.09427   110.48129   119.73886
   54    52 S   HC   _H20    57     1.09428   110.48471  -120.26300
   55    52 S   HC   _H21    58     1.09435   111.05376    -0.26244
   56    42 S   C5A  _C6_    45     1.37327   121.33921     9.24046
   57    56 S   CO4  _C9_    46     1.43326   127.16856     2.62301
   58    57 S   O    _O34    47     1.22698   123.90967  -170.47391
  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   9   5   4   3
  12   7   2   1   1  11   4  11   5   8   7   9   4   4   2   1
   1   7   7   4   2   1   1   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    57    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    56    57    58    40    41    43    46  
   38    39    42    57    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    50    51    56    57    40    41    43  
   42    44    56    40  
   41    43    46    47    48    49    42    51    56    57    58  
   43    46    56    57    58  
   44    45    50    51    56    57    58    52  
   46    47    48    49    56    57    58  
   45    50    51    56    57    52    53    54    55  
   50    51    56    52  
   47    48    49    57  
   48    49  
   49  
    0  
   51    56    57    52    53    54    55  
   56    57    58    52    53    54    55  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58  
   58  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   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    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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   320.000  1.468
   42    44   469.000  1.424
   42    56   546.000  1.367
   44    45   367.000  1.080
   44    50   546.000  1.367
   50    51   340.000  1.360
   50    52   295.000  1.489
   51    56   340.000  1.360
   56    57   335.000  1.450
   57    58   570.000  1.229
   57    40   317.000  1.522
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    57    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    44    50.00000  131.05000
   38    42    56    60.00000  121.69000
   42    38    39    80.00000  122.10000
   42    44    45    35.00000  127.50000
   42    44    50    70.00000  107.30000
   42    56    51    70.00000  110.60000
   42    56    57    55.00000  130.80000
   44    50    51    70.00000  110.60000
   44    50    52    50.00000  133.50000
   50    44    45    35.00000  125.70000
   50    51    56    70.00000  106.50000
   50    52    53    45.00000  110.47400
   50    52    54    45.00000  110.47400
   50    52    55    45.00000  110.47400
   51    56    57    80.00000  119.06000
   56    42    44    70.00000  107.30000
   56    57    58    80.00000  122.40000
   56    57    40    65.00000  117.66000
   57    40    41    35.00000  109.50000
   57    40    43    90.00000  108.74100
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    57    58    80.00000  120.40000
   40    43    46    60.00000  109.50000
   43    40    41    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   52    50    51    80.00000  116.10000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    57   0.56750  1.0 1.0
   29    33    40    57  -0.07550 -1.0 2.0
   29    33    40    57   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44   2.26350  1.0 1.0
   33    38    42    44   0.76750 -1.0 2.0
   33    38    42    44   0.22500  1.0 3.0
   33    38    42    56   2.26350  1.0 1.0
   33    38    42    56   0.76750 -1.0 2.0
   33    38    42    56   0.22500  1.0 3.0
   33    40    43    46   0.06250  1.0 1.0
   33    40    43    46  -0.01100 -1.0 2.0
   33    40    43    46   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    57  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    57   0.11950  1.0 1.0
   38    33    40    57   0.20300 -1.0 2.0
   38    33    40    57  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.09450  1.0 1.0
   38    33    40    43  -1.12950 -1.0 2.0
   38    33    40    43   0.54000  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    50   3.62500 -1.0 2.0
   38    42    56    51   3.62500 -1.0 2.0
   38    42   -56    57   3.62500 -1.0 2.0
   39    38    42    44   1.05000 -1.0 2.0
   39    38    42    56   1.05000 -1.0 2.0
   42    44   -50    51   3.62500 -1.0 2.0
   42    44    50    52   3.62500 -1.0 2.0
   42    56    57    58   1.05000 -1.0 2.0
   42    56    57    40   2.26350  1.0 1.0
   42    56    57    40   0.76750 -1.0 2.0
   42    56    57    40   0.22500  1.0 3.0
   44    42   -56    51   3.62500 -1.0 2.0
   44    42    56    57   3.62500 -1.0 2.0
   44    50   -51    56   3.62500 -1.0 2.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.00000  1.0 1.0
   44    50    52    55   0.00000  1.0 1.0
   45    44    50    51   3.62500 -1.0 2.0
   45    44    50    52   3.62500 -1.0 2.0
   50    51   -56    42   3.62500 -1.0 2.0
   50    51    56    57   3.62500 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   51    56    57    58   1.05000 -1.0 2.0
   51    56    57    40   0.56600 -1.0 2.0
   56    42    44    45   3.62500 -1.0 2.0
   56    42   -44    50   3.62500 -1.0 2.0
   56    57   -40    33   0.05850 -1.0 2.0
   56    57   -40    33   0.17250  1.0 3.0
   56    57    40    41   0.00000  1.0 1.0
   56    57    40    43   0.65300  1.0 1.0
   56    57    40    43  -0.03850 -1.0 2.0
   56    57    40    43   0.33900  1.0 3.0
   57    40    43    46  -1.11000  1.0 1.0
   57    40    43    46   0.50250 -1.0 2.0
   57    40    43    46   0.47450  1.0 3.0
   58    57    40    33   0.30150 -1.0 2.0
   58    57    40    41   0.00000  1.0 1.0
   58    57    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    46    47   0.37050  1.0 3.0
   40    43    46    48   0.37050  1.0 3.0
   40    43    46    49   0.37050  1.0 3.0
   41    40    43    46   0.37050  1.0 3.0
   52    50    51    56   3.62500 -1.0 2.0
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
   33    42    38    39  10.50000 -1.0 2.0
   44    56    42    38   4.00000 -1.0 2.0
   50    45    44    42   1.10000 -1.0 2.0
   52    51    50    44   4.00000 -1.0 2.0
   51    57    56    42   4.00000 -1.0 2.0
   56    40    57    58  10.50000 -1.0 2.0
END
