* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    102    146     291
    1     0 S   NP   _N1_     1    28.89686    95.29367   -20.54485
    2     1 S   H    _HN1     2     1.02834    35.72180   156.09782
    3     1 S   H    _H1_     3     1.02777    84.67962   -72.70988
    4     1 S   H    _H2_     4     1.02963    89.84061    35.73178
    5     1 S   CT   _CA1     5     1.50140   146.26636   164.22319
    6     5 S   HC   _HA1     6     1.09575   105.21444    54.06559
    7     5 S   CO3  _C1_     7     1.53784   112.38141   -66.08759
    8     7 S   O2Z  _O11     8     1.26355   114.98843   -42.71930
    9     7 S   O2Z  _O12     9     1.26240   114.92451   136.36542
   10     5 S   CT   _CB1    10     1.53080   107.40363   171.95602
   11    10 S   HC   HB11    11     1.09816   109.26963   -50.45416
   12    10 S   HC   HB12    12     1.09824   110.44304    66.09136
   13    10 S   CT   _CG1    13     1.52984   112.69996  -171.62579
   14    13 S   HC   HG11    14     1.09515   110.36415   -62.99754
   15    13 S   HC   HG12    15     1.09643   110.11370    56.06404
   16    13 S   C    _CD1    16     1.51808   112.23559   176.02098
   17    16 S   O    _OE1    17     1.22737   123.16766   -12.07592
   18    16 S   N    _N2_    18     1.38558   111.71117   169.12735
   19    18 S   H    _HN2    19     1.01584   119.04447    -0.72064
   20    18 S   CT1  _CA2    20     1.46194   123.47641   179.57296
   21    20 S   HC   _HA2    21     1.09738   109.35111   -12.61384
   22    20 S   C    _C2_    22     1.53497   108.33731  -128.13294
   23    22 S   O    _O2_    23     1.23022   122.25430  -147.32579
   24    20 S   CT   _CB2    32     1.53455   111.45423   109.60839
   25    24 S   HC   HB21    33     1.09265   109.49956    54.84251
   26    24 S   HC   HB22    34     1.09445   110.03323   173.12477
   27    22 S   N    _N3_    24     1.38518   113.40161    40.19291
   28    27 S   H    _HN3    25     1.01526   118.86205    -0.89983
   29    24 S   S    _SG2    35     1.82815   111.50005   -67.88638
   30    27 S   CT   _CA3    26     1.45454   123.57058   175.09040
   31    30 S   HC   HA31    27     1.09517   109.36217    21.79126
   32    30 S   HC   HA32    28     1.09501   107.08720   138.81322
   33    29 S   CT   _C8_    36     1.88494   101.91960   158.50339
   34    30 S   CO3  _C3_    29     1.52921   113.04361  -101.77630
   35    34 S   O2Z  _O31    30     1.26410   115.38491   -44.80443
   36    34 S   O2Z  _O32    31     1.26353   114.99697   136.12064
   37    33 S   CT   _C9_    37     1.53818   106.18579   145.15481
   38    37 S   HC   _H8_    38     1.09422   113.46376   -37.28297
   39    37 S   HC   _H9_    39     1.09529   112.42891  -161.12983
   40    33 S   OS   _O35    53     1.43272   112.12086    19.41946
   41    37 S   CO4  _C10    40     1.50026   102.78675    82.71250
   42    41 S   O    _O33    41     1.22134   125.56534  -161.81637
   43    40 S   CT   _C11    54     1.42042   116.28297    80.81236
   44    43 S   HC   _H10    55     1.09361   107.98118  -166.72335
   45    43 S   HC   _H11    56     1.09335   110.42066    75.68845
   46    43 S   HC   _H12    57     1.09323   112.06957   -47.41204
   47    41 S   OS   _O34    42     1.36844   109.66664    19.35886
   48    33 S   CT   _C7_    43     1.57540   110.87212  -106.31348
   49    48 S   OM   _O36    44     1.32820   112.23771   168.45581
   50    48 S   CM   _C5_    45     1.53506   117.86868    43.88455
   51    50 S   CM   _C6_    46     1.34717   123.26858    59.22398
   52    51 S   HC   _H6_    47     1.08470   121.59070   179.55677
   53    51 S   HC   _H7_    48     1.08485   121.31057     0.48051
   54    50 S   CT   _C4_    49     1.50907   117.60210  -121.63010
   55    54 S   HC   _H3_    50     1.09490   110.51630   -57.40946
   56    54 S   HC   _H4_    51     1.09479   110.51536    63.20259
   57    54 S   HC   _H5_    52     1.09514   112.16648  -176.91168
  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  11   5   4   3
  16   2   1   1  10   6   5   9   5   2   4   2   1   1   5   9
   3   7   6   2   1   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    47    48    49    50    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    50    51    54    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    50    40    43  
   39    41    42    47    48    40  
   41    42    47    48    40  
   43    44    45    46    41    47    48    49    50  
   42    47    48    49    50  
   47    48  
   44    45    46    48  
   45    46  
   46  
    0  
   48    49    50    51    54  
   49    50    51    52    53    54    55    56    57  
   50    51    54  
   51    52    53    54    55    56    57  
   52    53    54    55    56    57  
   53    54  
   54  
   55    56    57  
   56    57  
   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.541500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    48   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   570.000  1.307
   48    50   317.000  1.510
   50    51   549.000  1.340
   50    54   317.000  1.510
   51    52   340.000  1.080
   51    53   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    48    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    48    47    50.00000  109.50000
   33    48    49    50.00000  109.50000
   33    48    50    70.00000  112.02700
   33    40    43    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    47    81.00000  111.40000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49   110.00000  112.65000
   47    48    50    85.00000  110.90400
   48    33    37    58.35000  112.70000
   48    50    51    70.00000  124.00000
   48    50    54    65.00000  117.92700
   50    48    49    85.00000  110.90400
   50    51    52    35.00000  120.00000
   50    51    53    35.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   53    51    52    35.00000  117.00000
   54    50    51    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    48    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    48    47   0.56750  1.0 1.0
   29    33    48    47  -0.07550 -1.0 2.0
   29    33    48    47   0.20000  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.56750  1.0 1.0
   29    33    48    50  -0.07550 -1.0 2.0
   29    33    48    50   0.20000  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    47   0.36750  1.0 3.0
   33    48    50    51   0.09850  1.0 1.0
   33    48    50    51   0.15250 -1.0 2.0
   33    48    50    51  -0.50650  1.0 3.0
   33    48    50    54   0.46850  1.0 1.0
   33    48    50    54   0.08550 -1.0 2.0
   33    48    50    54   0.09800  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    45   0.37050  1.0 3.0
   33    40    43    46   0.37050  1.0 3.0
   37    33   -48    47   0.62750  1.0 1.0
   37    33   -48    47  -0.30950 -1.0 2.0
   37    33   -48    47   0.27300  1.0 3.0
   37    33    48    49   0.62750  1.0 1.0
   37    33    48    49  -0.30950 -1.0 2.0
   37    33    48    49   0.27300  1.0 3.0
   37    33    48    50   0.34400  1.0 1.0
   37    33    48    50   0.09450 -1.0 2.0
   37    33    48    50   0.11100  1.0 3.0
   37    33    40    43   0.06250  1.0 1.0
   37    33    40    43  -0.01100 -1.0 2.0
   37    33    40    43   0.28050  1.0 3.0
   37    41   -47    48   1.63150  1.0 1.0
   37    41   -47    48   2.92000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    47   -48    33  -0.25900  1.0 1.0
   41    47   -48    33  -0.47000 -1.0 2.0
   41    47   -48    33   0.11750  1.0 3.0
   41    47    48    49  -0.24150  1.0 1.0
   41    47    48    49  -0.46200 -1.0 2.0
   41    47    48    49   0.11700  1.0 3.0
   41    47    48    50  -0.82050  1.0 1.0
   41    47    48    50   0.00600 -1.0 2.0
   41    47    48    50   0.04400  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.39000  1.0 1.0
   47    48    50    51  -0.05800 -1.0 2.0
   47    48    50    51  -0.55150  1.0 3.0
   47    48    50    54   0.09700  1.0 1.0
   47    48    50    54   0.15600 -1.0 2.0
   47    48    50    54  -0.50800  1.0 3.0
   48    33    37    38   0.15000  1.0 3.0
   48    33    37    39   0.15000  1.0 3.0
   48    33   -37    41  -0.95700  1.0 1.0
   48    33   -37    41  -0.18200 -1.0 2.0
   48    33   -37    41   0.29450  1.0 3.0
   48    33    40    43   0.06250  1.0 1.0
   48    33    40    43  -0.01100 -1.0 2.0
   48    33    40    43   0.28050  1.0 3.0
   48    50    51    52   7.00000 -1.0 2.0
   48    50    51    53   7.00000 -1.0 2.0
   48    50    54    55   0.34800  1.0 3.0
   48    50    54    56   0.34800  1.0 3.0
   48    50    54    57   0.34800  1.0 3.0
   49    48    50    51   0.39000  1.0 1.0
   49    48    50    51  -0.05800 -1.0 2.0
   49    48    50    51  -0.55150  1.0 3.0
   49    48    50    54   0.09700  1.0 1.0
   49    48    50    54   0.15600 -1.0 2.0
   49    48    50    54  -0.50800  1.0 3.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   51    50    54    57   0.00000  1.0 1.0
   54    50    51    52   7.00000 -1.0 2.0
   54    50    51    53   7.00000 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    48    47   1.11900  1.0 1.0
   40    33    48    47  -1.16350 -1.0 2.0
   40    33    48    47  -0.34150  1.0 3.0
   40    33    48    49   1.11900  1.0 1.0
   40    33    48    49  -1.16350 -1.0 2.0
   40    33    48    49  -0.34150  1.0 3.0
   40    33    48    50   0.61850  1.0 1.0
   40    33    48    50  -0.22750 -1.0 2.0
   40    33    48    50   0.15300  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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   48    54    50    51  15.00000 -1.0 2.0
   52    53    51    50  15.00000 -1.0 2.0
END
