* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    101    145     290
    1     0 S   NP   _N1_     1    28.73937    94.99087   -21.31982
    2     1 S   H    _HN1     2     1.02961    85.83508    50.40234
    3     1 S   H    _H1_     3     1.02824    30.63032  -175.69734
    4     1 S   H    _H2_     4     1.02759    94.87299   -57.79872
    5     1 S   CT   _CA1     5     1.50334   140.41544   167.46604
    6     5 S   HC   _HA1     6     1.09603   104.90317    68.43553
    7     5 S   CO3  _C1_     7     1.53933   112.73795   -50.51002
    8     7 S   O2Z  _O11     8     1.26368   114.99382   -26.92938
    9     7 S   O2Z  _O12     9     1.26315   115.06678   151.53259
   10     5 S   CT   _CB1    10     1.53155   107.13384  -174.21023
   11    10 S   HC   HB11    11     1.09790   108.81231   -50.43922
   12    10 S   HC   HB12    12     1.09799   110.38141    65.85580
   13    10 S   CT   _CG1    13     1.52917   113.03526  -171.92552
   14    13 S   HC   HG11    14     1.09498   110.03420   -71.51446
   15    13 S   HC   HG12    15     1.09674   110.14128    47.37850
   16    13 S   C    _CD1    16     1.51923   112.87139   166.99944
   17    16 S   O    _OE1    17     1.22697   123.31073   -13.92927
   18    16 S   N    _N2_    18     1.38561   111.51738   168.23772
   19    18 S   H    _HN2    19     1.01578   118.88474    -2.35941
   20    18 S   CT1  _CA2    20     1.46314   123.84002   176.34232
   21    20 S   HC   _HA2    21     1.09739   109.40295   -12.31688
   22    20 S   C    _C2_    22     1.53599   107.91755  -127.46673
   23    22 S   O    _O2_    23     1.23009   122.43546  -146.77087
   24    20 S   CT   _CB2    32     1.53287   111.25801   110.33660
   25    24 S   HC   HB21    33     1.09550   109.49617    48.25631
   26    24 S   HC   HB22    34     1.09486   110.83731   167.16304
   27    22 S   N    _N3_    24     1.38582   113.33132    40.79012
   28    27 S   H    _HN3    25     1.01524   118.82884    -0.90504
   29    24 S   S    _SG2    35     1.83108   111.29850   -74.04785
   30    27 S   CT   _CA3    26     1.45448   123.60876   175.13675
   31    30 S   HC   HA31    27     1.09512   109.40262    21.05792
   32    30 S   HC   HA32    28     1.09500   107.07647   138.08084
   33    29 S   CT   _C9_    36     1.83884   100.62255   151.49314
   34    33 S   OM   _O34    37     1.31640   111.62007    61.06170
   35    30 S   CO3  _C3_    29     1.52911   113.01888  -102.54259
   36    35 S   O2Z  _O31    30     1.26411   115.38072   -45.12909
   37    35 S   O2Z  _O32    31     1.26351   115.00539   135.80540
   38    33 S   CM   _C8_    38     1.50213   109.43391  -176.06737
   39    38 S   CMA  _C7_    39     1.34464   112.14195   116.54580
   40    39 S   OM   _O39    40     1.25766   136.97472   174.49622
   41    38 S   OS   _O35    53     1.37823   119.17205   -67.41494
   42    39 S   CT   _C6_    41     1.51323   107.27351    -2.27710
   43    42 S   HC   _H4_    42     1.09890   110.26748   119.62574
   44    41 S   SY   _S1_    54     1.64095   124.19596   133.73955
   45    44 S   OY   _O38    55     1.46255   104.78302    89.90170
   46    44 S   OY   _O36    56     1.46288   105.98316   -31.91004
   47    44 S   OY   _O37    57     1.46452   103.13453  -151.28236
   48    33 S   OS   _O33    43     1.44278   110.25608   -61.74419
   49    42 S   CT   _C5_    44     1.54656   115.92406  -115.74582
   50    49 S   HC   _H3_    45     1.09596   110.50506   -61.49869
   51    49 S   CT   _C4_    46     1.52939   111.63025   176.58247
   52    51 S   HC   _H5_    47     1.09498   111.31102   -73.03724
   53    51 S   HC   _H6_    48     1.09407   111.28065    49.52470
   54    49 S   OH   _O40    51     1.43283   111.15453    56.48234
   55    54 S   HO   _H7_    52     0.97342   107.44146    39.44870
   56    51 S   OH   _O41    49     1.42451   108.85957   168.25288
   57    56 S   HO   _H8_    50     0.97236   107.62408   170.86163
  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
  10   5   2   1   1  11  10   5   6  10   5   3   2   1   1   4
   8   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    48    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    49    41    44  
   38    39    42    48    41  
   36    37  
   37  
    0  
   39    40    42    43    48    49    41    44    45    46    47  
   40    42    43    48    49    50    51    54    41    44  
   42    43    48    49    41  
   44    45    46    47    42    48  
   43    48    49    50    51    52    53    56    54    55  
   48    49    50    51    54  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    54  
   50    51    52    53    56    57    54    55  
   51    52    53    56    54    55  
   52    53    56    57    54    55  
   53    56    57    54  
   56    57    54  
   55    56  
    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  -0.316400   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   0.640400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   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   3.5500   0.0760  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.9000   0.1400  -0.414200   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   45   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   570.000  1.307
   33    38   317.000  1.510
   33    48   320.000  1.410
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    48   320.000  1.410
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   320.000  1.410
   56    57   553.000  0.945
   54    55   553.000  0.945
   41    44   335.000  1.682
   44    45   735.000  1.471
   44    46   735.000  1.471
   44    47   735.000  1.471
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    48    85.00000  114.68000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    48    42    60.00000  109.50000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    44    95.00000  114.00000
   39    42    43    45.00000  110.52000
   39    42    48    85.00000  110.90400
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    37.50000  110.70000
   42    49    51    58.35000  112.70000
   42    49    54    50.00000  109.50000
   48    33    34   110.00000  112.65000
   48    33    38    85.00000  110.90400
   48    42    43    35.00000  109.50000
   49    42    43    37.50000  110.70000
   49    42    48    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    50.00000  109.50000
   49    54    55    55.00000  108.50000
   51    49    50    37.50000  110.70000
   51    56    57    55.00000  108.50000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   54    49    50    35.00000  109.50000
   54    49    51    50.00000  109.50000
   41    38    39    80.00000  120.01400
   41    44    45   135.00000  106.70400
   41    44    46   135.00000  106.70400
   41    44    47   135.00000  106.70400
   46    44    45   115.00000  120.17200
   47    44    45   115.00000  120.17200
   47    44    46   115.00000  120.17200
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.13850  1.0 1.0
   24    29    33    48  -1.34450 -1.0 2.0
   24    29    33    48   0.57400  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    48    42   0.14700  1.0 1.0
   29    33    48    42  -1.16150 -1.0 2.0
   29    33    48    42   0.48700  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    42   7.00000 -1.0 2.0
   33    38    41    44   2.00000 -1.0 2.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    48    42  -0.11650  1.0 1.0
   34    33    48    42  -1.14850 -1.0 2.0
   34    33    48    42   0.58850  1.0 3.0
   38    33   -48    42  -0.77900  1.0 1.0
   38    33   -48    42  -0.36900 -1.0 2.0
   38    33   -48    42   0.40400  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39   -42    48   0.39000  1.0 1.0
   38    39   -42    48  -0.05800 -1.0 2.0
   38    39   -42    48  -0.55150  1.0 3.0
   38    39    42    49   0.09850  1.0 1.0
   38    39    42    49   0.15250 -1.0 2.0
   38    39    42    49  -0.50650  1.0 3.0
   38    41    44    45   0.29800  1.0 3.0
   38    41    44    46   0.29800  1.0 3.0
   38    41    44    47   0.29800  1.0 3.0
   39    38    41    44   2.00000 -1.0 2.0
   39    42   -48    33  -0.77900  1.0 1.0
   39    42   -48    33  -0.36900 -1.0 2.0
   39    42   -48    33   0.40400  1.0 3.0
   39    42    49    50   0.15000  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   39    42    49    54   1.05650  1.0 1.0
   39    42    49    54   0.15600 -1.0 2.0
   39    42    49    54   0.53150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    48   0.09700  1.0 1.0
   40    39    42    48   0.15600 -1.0 2.0
   40    39    42    48  -0.50800  1.0 3.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   42    49    51    56   0.86500  1.0 1.0
   42    49    51    56  -0.17500 -1.0 2.0
   42    49    51    56   0.20800  1.0 3.0
   42    49    54    55  -0.11600  1.0 1.0
   42    49    54    55  -0.09450 -1.0 2.0
   42    49    54    55   0.21250  1.0 3.0
   43    42    48    33   0.37050  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    54   0.23400  1.0 3.0
   48    33   -38    39   0.39000  1.0 1.0
   48    33   -38    39  -0.05800 -1.0 2.0
   48    33   -38    39  -0.55150  1.0 3.0
   48    33    38    41   0.09700  1.0 1.0
   48    33    38    41   0.15600 -1.0 2.0
   48    33    38    41  -0.50800  1.0 3.0
   48    42    49    50   0.23400  1.0 3.0
   48    42    49    51   0.62750  1.0 1.0
   48    42    49    51  -0.30950 -1.0 2.0
   48    42    49    51   0.27300  1.0 3.0
   48    42    49    54   3.69350  1.0 1.0
   48    42    49    54  -1.82950 -1.0 2.0
   49    42    48    33   0.06250  1.0 1.0
   49    42    48    33  -0.01100 -1.0 2.0
   49    42    48    33   0.28050  1.0 3.0
   49    51    56    57  -0.11600  1.0 1.0
   49    51    56    57  -0.09450 -1.0 2.0
   49    51    56    57   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.23400  1.0 3.0
   50    49    54    55   0.19450  1.0 3.0
   51    49    54    55  -0.11600  1.0 1.0
   51    49    54    55  -0.09450 -1.0 2.0
   51    49    54    55   0.21250  1.0 3.0
   52    51    56    57   0.19450  1.0 3.0
   53    51    56    57   0.19450  1.0 3.0
   54    49    51    52   0.23400  1.0 3.0
   54    49    51    53   0.23400  1.0 3.0
   54    49    51    56   3.75450  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
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
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
END
