* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    152     295
    1     0 S   NP   _N1_     1    28.70005    96.22964   -23.43066
    2     1 S   H    _HN1     2     1.02950    73.53690    12.51528
    3     1 S   H    _H1_     3     1.02829    36.72931   167.75643
    4     1 S   H    _H2_     4     1.02785   105.19040   -92.55916
    5     1 S   CT   _CA1     5     1.50102   138.02433   114.94753
    6     5 S   HC   _HA1     6     1.09572   105.21264    89.86210
    7     5 S   CO3  _C1_     7     1.53792   112.45586   -30.40790
    8     7 S   O2Z  _O11     8     1.26371   115.01043   -42.94800
    9     7 S   O2Z  _O12     9     1.26239   114.94676   136.24337
   10     5 S   CT   _CB1    10     1.53085   107.43004  -152.13938
   11    10 S   HC   HB11    11     1.09831   109.40206   -49.78288
   12    10 S   HC   HB12    12     1.09813   110.43447    66.83077
   13    10 S   CT   _CG1    13     1.52986   112.58986  -170.76503
   14    13 S   HC   HG11    14     1.09583   110.61439   -64.92782
   15    13 S   HC   HG12    15     1.09668   109.80687    54.30020
   16    13 S   C    _CD1    16     1.51794   112.26090   174.77168
   17    16 S   O    _OE1    17     1.22726   123.30368     5.77998
   18    16 S   N    _N2_    18     1.38655   111.64771  -174.35024
   19    18 S   H    _HN2    19     1.01589   118.93521     1.93795
   20    18 S   CT1  _CA2    20     1.46209   123.41055   177.74640
   21    20 S   HC   _HA2    21     1.09738   109.34536     1.95675
   22    20 S   C    _C2_    22     1.53553   108.64662  -113.49194
   23    22 S   O    _O2_    23     1.23053   122.29257  -148.51062
   24    20 S   CT   _CB2    32     1.53288   111.54344   123.93931
   25    24 S   HC   HB21    33     1.09624   110.12392    56.22284
   26    24 S   HC   HB22    34     1.09552   110.26735   175.10835
   27    22 S   N    _N3_    24     1.38333   113.70288    38.98444
   28    27 S   H    _HN3    25     1.01586   119.58069    -3.37098
   29    24 S   S    _SG2    35     1.82345   111.62290   -64.87837
   30    27 S   CT   _CA3    26     1.45286   123.21386   177.10457
   31    30 S   HC   HA31    27     1.09549   107.51569   -64.51234
   32    30 S   HC   HA32    28     1.09556   107.98158    51.92895
   33    29 S   CO4  _C9_    36     1.76877   100.29738   179.41650
   34    33 S   O    _O34    37     1.22519   122.22128    -3.69231
   35    30 S   CO3  _C3_    29     1.52958   114.07341   173.92730
   36    35 S   O2Z  _O31    30     1.26376   116.06303    -0.48254
   37    35 S   O2Z  _O32    31     1.26427   114.41407   179.57479
   38    33 S   CT   _C8_    38     1.52205   113.82276   177.79984
   39    38 S   HC   _H5_    39     1.09584   109.08244    51.06735
   40    38 S   CT   _C7_    40     1.52785   112.15305   -74.98746
   41    40 S   HC   _H4_    41     1.09629   112.57366   -17.89648
   42    40 S   CT   _C6_    42     1.51679   102.62011  -137.59817
   43    42 S   HC   _H3_    43     1.09723   109.95567   -82.38353
   44    40 S   OH   _O35    55     1.42067   111.74903   102.66660
   45    44 S   HO   _H8_    56     0.97230   108.59907    58.68779
   46    42 S   CO   _C5_    44     1.52493   101.34020    35.85059
   47    42 S   OH   _O36    53     1.41556   111.48333   157.51731
   48    47 S   HO   _H9_    54     0.97171   108.02314  -172.21984
   49    38 S   OS   _O33    45     1.44085   108.27643   167.31362
   50    46 S   CT   _C4_    46     1.52669   112.92717  -160.39705
   51    50 S   HC   _H6_    47     1.09462   111.14211    61.35326
   52    50 S   HC   _H7_    48     1.09432   111.14492   -61.29182
   53    46 S   OH   _O37    51     1.42731   109.85601    76.73618
   54    53 S   HO   _H10    52     0.97328   106.71040   165.01557
   55    50 S   OH   _O38    49     1.42625   109.26385  -179.73386
   56    55 S   HO   _H11    50     0.97263   107.07070  -178.05559
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   9   4   2   1   1  12   6  11   7  13   7   4   1  10   4   1
   6   6   4   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    49    44  
   38    39    40    49  
   36    37  
   37  
    0  
   39    40    41    42    43    46    49    50    53    47    44    45  
   40    41    42    46    49    44  
   41    42    43    46    49    50    53    47    48    44    45  
   42    43    46    49    47    44    45  
   43    46    49    50    51    52    55    53    54    47    48    44    45  
   46    49    50    53    47    48    44  
   45    46    47    49  
    0  
   49    50    51    52    55    56    53    54    47    48  
   48    49    50    53  
    0  
   50    51    52    55    53    54  
   51    52    55    56    53    54  
   52    55    56    53  
   55    56    53  
   54    55  
    0  
   56  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    49   320.000  1.410
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    44   320.000  1.410
   42    43   340.000  1.090
   42    46   250.000  1.527
   42    47   320.000  1.410
   46    49   320.000  1.380
   46    50   250.000  1.527
   46    53   380.000  1.407
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   320.000  1.410
   55    56   553.000  0.945
   53    54   553.000  0.945
   47    48   553.000  0.945
   44    45   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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    63.00000  111.10000
   33    38    49    90.00000  108.74100
   38    33    34    80.00000  120.40000
   38    40    41    37.50000  110.70000
   38    40    42    58.35000  112.70000
   38    40    44    50.00000  109.50000
   38    49    46    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    46    75.00000  109.43000
   40    42    47    50.00000  109.50000
   40    44    45    55.00000  108.50000
   42    40    41    37.50000  110.70000
   42    46    49    90.00000  108.56700
   42    46    50    65.00000  112.71400
   42    46    53    90.00000  110.19100
   42    47    48    55.00000  108.50000
   46    42    43    45.00000  108.72000
   46    50    51    45.00000  108.72000
   46    50    52    45.00000  108.72000
   46    50    55    90.00000  111.58700
   46    53    54    70.00000  107.92000
   49    38    39    35.00000  109.50000
   49    38    40    50.00000  109.50000
   50    46    49    90.00000  108.56700
   50    55    56    55.00000  108.50000
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   53    46    49   110.00000  112.08000
   53    46    50    90.00000  110.19100
   47    42    43    35.00000  109.50000
   47    42    46    90.00000  111.58700
   44    40    41    35.00000  109.50000
   44    40    42    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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    49   0.00000  1.0 1.0
   33    38    40    41  -0.11250  1.0 3.0
   33    38    40    42  -0.95700  1.0 1.0
   33    38    40    42  -0.18200 -1.0 2.0
   33    38    40    42   0.29450  1.0 3.0
   33    38    40    44  -0.09450  1.0 1.0
   33    38    40    44  -1.12950 -1.0 2.0
   33    38    40    44   0.54000  1.0 3.0
   33    38    49    46  -1.11000  1.0 1.0
   33    38    49    46   0.50250 -1.0 2.0
   33    38    49    46   0.47450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.30150 -1.0 2.0
   34    33    38    49   0.30150 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40   -42    46   3.97050  1.0 1.0
   38    40    42    47   0.86500  1.0 1.0
   38    40    42    47  -0.17500 -1.0 2.0
   38    40    42    47   0.20800  1.0 3.0
   38    40    44    45  -0.11600  1.0 1.0
   38    40    44    45  -0.09450 -1.0 2.0
   38    40    44    45   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    49    46   0.37050  1.0 3.0
   40    38   -49    46   0.06250  1.0 1.0
   40    38   -49    46  -0.01100 -1.0 2.0
   40    38   -49    46   0.28050  1.0 3.0
   40    42   -46    49   0.62750  1.0 1.0
   40    42   -46    49  -0.30950 -1.0 2.0
   40    42   -46    49   0.27300  1.0 3.0
   40    42    46    50   0.56750  1.0 1.0
   40    42    46    50  -0.07550 -1.0 2.0
   40    42    46    50   0.20000  1.0 3.0
   40    42    46    53   0.86500  1.0 1.0
   40    42    46    53  -0.17500 -1.0 2.0
   40    42    46    53   0.20800  1.0 3.0
   40    42    47    48  -0.11600  1.0 1.0
   40    42    47    48  -0.09450 -1.0 2.0
   40    42    47    48   0.21250  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40    42    46   0.15000  1.0 3.0
   41    40    42    47   0.23400  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   42    40    44    45  -0.11600  1.0 1.0
   42    40    44    45  -0.09450 -1.0 2.0
   42    40    44    45   0.21250  1.0 3.0
   42    46   -49    38   0.06250  1.0 1.0
   42    46   -49    38  -0.01100 -1.0 2.0
   42    46   -49    38   0.28050  1.0 3.0
   42    46    50    51   0.15000  1.0 3.0
   42    46    50    52   0.15000  1.0 3.0
   42    46    50    55   0.86500  1.0 1.0
   42    46    50    55  -0.17500 -1.0 2.0
   42    46    50    55   0.20800  1.0 3.0
   42    46    53    54  -0.11600  1.0 1.0
   42    46    53    54  -0.09450 -1.0 2.0
   42    46    53    54   0.21250  1.0 3.0
   43    42    46    49   0.23400  1.0 3.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    53   0.23400  1.0 3.0
   43    42    47    48   0.19450  1.0 3.0
   46    42    47    48  -0.11600  1.0 1.0
   46    42    47    48  -0.09450 -1.0 2.0
   46    42    47    48   0.21250  1.0 3.0
   46    50    55    56  -0.11600  1.0 1.0
   46    50    55    56  -0.09450 -1.0 2.0
   46    50    55    56   0.21250  1.0 3.0
   49    38    40    41   0.23400  1.0 3.0
   49    38   -40    42   0.62750  1.0 1.0
   49    38   -40    42  -0.30950 -1.0 2.0
   49    38   -40    42   0.27300  1.0 3.0
   49    38    40    44   3.69350  1.0 1.0
   49    38    40    44  -1.82950 -1.0 2.0
   49    46    50    51   0.23400  1.0 3.0
   49    46    50    52   0.23400  1.0 3.0
   49    46    50    55   3.69350  1.0 1.0
   49    46    50    55  -1.82950 -1.0 2.0
   49    46    53    54  -0.50000  1.0 1.0
   49    46    53    54  -0.73950 -1.0 2.0
   49    46    53    54   0.17150  1.0 3.0
   50    46    49    38   0.06250  1.0 1.0
   50    46    49    38  -0.01100 -1.0 2.0
   50    46    49    38   0.28050  1.0 3.0
   50    46    53    54  -0.11600  1.0 1.0
   50    46    53    54  -0.09450 -1.0 2.0
   50    46    53    54   0.21250  1.0 3.0
   51    50    55    56   0.19450  1.0 3.0
   52    50    55    56   0.19450  1.0 3.0
   53    46    49    38  -0.70900  1.0 1.0
   53    46    49    38  -1.18000 -1.0 2.0
   53    46    49    38   0.91650  1.0 3.0
   53    46    50    51   0.23400  1.0 3.0
   53    46    50    52   0.23400  1.0 3.0
   53    46    50    55   3.75450  1.0 1.0
   47    42    46    49   3.69350  1.0 1.0
   47    42    46    49  -1.82950 -1.0 2.0
   47    42    46    50   0.86500  1.0 1.0
   47    42    46    50  -0.17500 -1.0 2.0
   47    42    46    50   0.20800  1.0 3.0
   47    42    46    53   3.75450  1.0 1.0
   44    40    42    43   0.23400  1.0 3.0
   44    40    42    46   0.86500  1.0 1.0
   44    40    42    46  -0.17500 -1.0 2.0
   44    40    42    46   0.20800  1.0 3.0
   44    40    42    47   3.75450  1.0 1.0
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
   29    38    33    34  10.50000 -1.0 2.0
END
