* LIGAND DATABASE FILE (OPLS2005)
*
001      54    53     95    138     279
    1     0 S   NP   _N1_     1    30.61092    90.54719   -18.68433
    2     1 S   H    _HN1     2     1.03500   130.47194   -27.38922
    3     1 S   H    _H1_     3     1.02905   110.25925   109.53232
    4     1 S   H    _H2_     4     1.02722    29.69901    19.63862
    5     1 S   CT   _CA1     5     1.50105    83.47062  -141.00502
    6     5 S   HC   _HA1     6     1.09561   105.30769    63.83114
    7     5 S   CO3  _C1_     7     1.53652   112.82038   -56.87631
    8     7 S   O2Z  _O11     8     1.26385   115.07483   -41.85332
    9     7 S   O2Z  _O12     9     1.26255   114.97535   137.52396
   10     5 S   CT   _CB1    10     1.52811   107.09926  -178.41489
   11    10 S   HC   HB11    11     1.09719   109.05793   -52.37775
   12    10 S   HC   HB12    12     1.09817   110.20605    63.61630
   13    10 S   CT   _CG1    13     1.53083   113.62784  -173.39230
   14    13 S   HC   HG11    14     1.09539   111.22319   -77.93440
   15    13 S   HC   HG12    15     1.09589   110.91369    42.08710
   16    13 S   C    _CD1    16     1.51392   109.38502   161.01575
   17    16 S   O    _OE1    17     1.22852   121.85241  -108.47825
   18    16 S   N    _N2_    18     1.38309   112.87652    69.06611
   19    18 S   H    _HN2    19     1.01555   119.43194     9.87639
   20    18 S   CT1  _CA2    20     1.45436   122.48654  -171.08046
   21    20 S   HC   _HA2    21     1.09672   108.36923    26.30991
   22    20 S   C    _C2_    22     1.52864   107.88613   -90.86738
   23    22 S   O    _O2_    23     1.22934   122.91895   -27.10856
   24    20 S   CT   _CB2    32     1.53300   112.41953   148.58448
   25    24 S   HC   HB21    33     1.09666   109.83814    69.45100
   26    24 S   HC   HB22    34     1.09589   110.36919  -173.71990
   27    22 S   N    _N3_    24     1.38624   112.34764   155.81479
   28    27 S   H    _HN3    25     1.01487   119.75214     0.80089
   29    24 S   S    _SG2    35     1.83106   115.56511   -50.64548
   30    27 S   CT   _CA3    26     1.45453   122.84248   175.25344
   31    30 S   HC   HA31    27     1.09537   108.96759    29.98768
   32    30 S   HC   HA32    28     1.09479   107.16911   147.13645
   33    29 S   CT   _C7_    36     1.82479   100.56812   -53.77201
   34    33 S   HC   _H8_    37     1.09369   108.55405   -40.26918
   35    33 S   HC   _H9_    38     1.09264   108.43208    78.14993
   36    30 S   CO3  _C3_    29     1.53058   113.57883   -93.02314
   37    36 S   O2Z  _O31    30     1.26377   115.80647   -30.92246
   38    36 S   O2Z  _O32    31     1.26410   114.68841   149.94855
   39    33 S   CT   _C6_    39     1.53043   109.58592  -160.60631
   40    39 S   HC   _H6_    40     1.09832   110.36928   -52.00848
   41    39 S   HC   _H7_    41     1.09985   108.99568    62.49747
   42    39 S   CT   _C5_    42     1.54569   115.17150  -175.61568
   43    42 S   CT   _C4_    43     1.53412   111.47354   -56.38082
   44    43 S   HC   _H3_    44     1.09603   110.81738   -52.75860
   45    43 S   HC   _H4_    45     1.09433   112.17122    68.84337
   46    43 S   HC   _H5_    46     1.09643   110.75437  -170.41040
   47    42 S   CT   _C8_    47     1.53899   113.69565    67.88462
   48    47 S   HC   _H10    48     1.09885   109.66792  -179.81977
   49    47 S   HC   _H11    49     1.09655   110.76728   -62.98557
   50    42 S   OH   _O35    53     1.43472   106.35864  -171.63548
   51    50 S   HO   _H12    54     0.97273   108.19788  -163.08248
   52    47 S   CO3  _C9_    50     1.53135   114.18722    61.08920
   53    52 S   O2Z  _O34    51     1.26284   115.27024    76.67646
   54    52 S   O2Z  _O33    52     1.26321   115.28220  -104.84841
  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   7   5   4   3
   9   5   4   2   1   1  13   5   4  12   9   4   3   2   7   5
   4   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    50  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    52    50    51  
   41    42    43    47    50  
   42    43    47    50  
   43    44    45    46    47    48    49    52    53    54    50    51  
   44    45    46    47    48    49    52    50    51  
   45    46    47    50  
   46    47    50  
   47    50  
   48    49    52    53    54    50    51  
   49    52    53    54    50  
   52    53    54    50  
   51    52  
    0  
   53    54  
   54  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   268.000  1.529
   42    47   268.000  1.529
   42    50   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   50    51   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    58.35000  112.70000
   39    42    47    58.35000  112.70000
   39    42    50    50.00000  109.50000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    43    44    37.50000  110.70000
   42    43    45    37.50000  110.70000
   42    43    46    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    52    70.00000  109.69300
   42    50    51    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    52    53    70.00000  117.00000
   47    52    54    70.00000  117.00000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   54    52    53    80.00000  126.00000
   50    42    43    50.00000  109.50000
   50    42    47    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    39    42    43   0.56750  1.0 1.0
   33    39    42    43  -0.07550 -1.0 2.0
   33    39    42    43   0.20000  1.0 3.0
   33    39    42    47   0.56750  1.0 1.0
   33    39    42    47  -0.07550 -1.0 2.0
   33    39    42    47   0.20000  1.0 3.0
   33    39    42    50   0.86500  1.0 1.0
   33    39    42    50  -0.17500 -1.0 2.0
   33    39    42    50   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    44   0.15000  1.0 3.0
   39    42    43    45   0.15000  1.0 3.0
   39    42    43    46   0.15000  1.0 3.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    49   0.15000  1.0 3.0
   39    42    47    52  -1.63150  1.0 1.0
   39    42    47    52  -0.43550 -1.0 2.0
   39    42    47    52   0.24500  1.0 3.0
   39    42    50    51  -0.11600  1.0 1.0
   39    42    50    51  -0.09450 -1.0 2.0
   39    42    50    51   0.21250  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    47   0.15000  1.0 3.0
   40    39    42    50   0.23400  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    47   0.15000  1.0 3.0
   41    39    42    50   0.23400  1.0 3.0
   42    47    52    53   0.41150 -1.0 2.0
   42    47    52    54   0.41150 -1.0 2.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52  -1.63150  1.0 1.0
   43    42    47    52  -0.43550 -1.0 2.0
   43    42    47    52   0.24500  1.0 3.0
   43    42    50    51  -0.11600  1.0 1.0
   43    42    50    51  -0.09450 -1.0 2.0
   43    42    50    51   0.21250  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    45   0.15000  1.0 3.0
   47    42    43    46   0.15000  1.0 3.0
   47    42    50    51  -0.11600  1.0 1.0
   47    42    50    51  -0.09450 -1.0 2.0
   47    42    50    51   0.21250  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   49    47    52    53   0.00000  1.0 1.0
   49    47    52    54   0.00000  1.0 1.0
   50    42    43    44   0.23400  1.0 3.0
   50    42    43    45   0.23400  1.0 3.0
   50    42    43    46   0.23400  1.0 3.0
   50    42    47    48   0.23400  1.0 3.0
   50    42    47    49   0.23400  1.0 3.0
   50    42    47    52  -5.33000  1.0 1.0
   50    42    47    52  -0.54250 -1.0 2.0
   50    42    47    52  -0.07300  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
   37    30    36    38  10.50000 -1.0 2.0
   53    47    52    54  10.50000 -1.0 2.0
END
