* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    142     282
    1     0 S   NP   _N1_     1    28.05718    95.71867   -22.79552
    2     1 S   H    _HN1     2     1.02957    82.88814    -7.04977
    3     1 S   H    _H1_     3     1.02835    29.21440   138.89179
    4     1 S   H    _H2_     4     1.02776   101.21691  -114.41810
    5     1 S   CT   _CA1     5     1.50124   136.53538   105.20255
    6     5 S   HC   _HA1     6     1.09574   105.22157    75.99891
    7     5 S   CO3  _C1_     7     1.53792   112.37798   -44.20500
    8     7 S   O2Z  _O11     8     1.26365   114.99824   -43.69193
    9     7 S   O2Z  _O12     9     1.26238   114.93542   135.44690
   10     5 S   CT   _CB1    10     1.53100   107.42597  -166.07875
   11    10 S   HC   HB11    11     1.09826   109.34822   -50.50621
   12    10 S   HC   HB12    12     1.09816   110.41993    66.05788
   13    10 S   CT   _CG1    13     1.53009   112.65669  -171.58035
   14    13 S   HC   HG11    14     1.09596   110.47768   -64.09123
   15    13 S   HC   HG12    15     1.09656   109.92886    55.10020
   16    13 S   C    _CD1    16     1.51836   112.34664   175.48412
   17    16 S   O    _OE1    17     1.22745   123.29208    -0.33688
   18    16 S   N    _N2_    18     1.38531   111.65871   179.70859
   19    18 S   H    _HN2    19     1.01547   119.08232     4.35064
   20    18 S   CT1  _CA2    20     1.45901   122.97157   178.44657
   21    20 S   HC   _HA2    21     1.09715   108.93383    24.65061
   22    20 S   C    _C2_    22     1.52891   106.70825   -92.57789
   23    22 S   O    _O2_    23     1.23019   122.90911   -29.82813
   24    20 S   CT   _CB2    32     1.53224   112.17345   147.87013
   25    24 S   HC   HB21    33     1.09522   109.71956    55.11610
   26    24 S   HC   HB22    34     1.09334   109.89027   173.44004
   27    22 S   N    _N3_    24     1.38488   112.75826   152.75841
   28    27 S   H    _HN3    25     1.01676   120.35799    -0.96914
   29    24 S   S    _SG2    35     1.82868   110.78526   -65.29064
   30    27 S   CT   _CA3    26     1.45364   122.31315   178.79050
   31    30 S   HC   HA31    27     1.09570   107.47085   -62.62707
   32    30 S   HC   HA32    28     1.09573   107.89306    53.62727
   33    29 S   CT   _C8_    36     1.88522   100.46780  -178.21996
   34    30 S   CO3  _C3_    29     1.52860   114.55027   175.60738
   35    34 S   O2Z  _O31    30     1.26302   116.14900    -2.51482
   36    34 S   O2Z  _O32    31     1.26467   114.36766   177.57586
   37    33 S   CM   _C9_    37     1.50226   105.08371  -164.02846
   38    37 S   HC   _H8_    38     1.08261   123.80940    74.36569
   39    33 S   OS   _O35    52     1.43257   111.53119   -40.12901
   40    37 S   CMA  _C10    39     1.34282   112.84643  -101.80823
   41    40 S   OM   _O34    40     1.26235   127.25712   176.95998
   42    39 S   CT   _C11    53     1.41997   117.59070   -72.47734
   43    42 S   HC   _H9_    54     1.09381   107.82643   168.71076
   44    42 S   HC   _H10    55     1.09307   112.21139    49.74492
   45    42 S   HC   _H11    56     1.09357   110.51996   -73.97354
   46    40 S   OS   _O33    41     1.42399   109.20588    -1.52547
   47    33 S   CT   _C7_    42     1.58297   116.09217    88.53809
   48    47 S   OM   _O36    43     1.32350   113.80024   -32.81157
   49    47 S   CM   _C5_    44     1.55835   116.42551  -156.27388
   50    49 S   CM   _C6_    45     1.34821   123.35418  -120.57750
   51    50 S   HC   _H6_    46     1.08502   121.34188  -179.32652
   52    50 S   HC   _H7_    47     1.08404   122.28174     0.53887
   53    49 S   CT   _C4_    48     1.51492   119.20260    61.41673
   54    53 S   HC   _H3_    49     1.09372   110.80260   -86.88703
   55    53 S   HC   _H4_    50     1.09418   111.98708    34.64928
   56    53 S   HC   _H5_    51     1.09635   111.43770   153.81765
  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  10   5   4   3
  15   2   1   1   9   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    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    46    47    48    49    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    49    50    53    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    49    39    42  
   40    41    46    47    39  
   42    43    44    45    40    46    47    48    49  
   41    46    47    48    49  
   46    47  
   43    44    45    47  
   44    45  
   45  
    0  
   47    48    49    50    53  
   48    49    50    51    52    53    54    55    56  
   49    50    53  
   50    51    52    53    54    55    56  
   51    52    53    54    55    56  
   52    53  
   53  
   54    55    56  
   55    56  
   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  -0.316400   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   0.417900   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   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.491500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   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   317.000  1.510
   33    47   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   570.000  1.307
   47    49   317.000  1.510
   49    50   549.000  1.340
   49    53   317.000  1.510
   50    51   340.000  1.080
   50    52   340.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  112.20000
   29    33    47    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    47    46    50.00000  109.50000
   33    47    48    50.00000  109.50000
   33    47    49    70.00000  112.02700
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    80.00000  120.01400
   40    37    38    40.00000  120.50800
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48   110.00000  112.65000
   46    47    49    85.00000  110.90400
   47    33    37    70.00000  112.02700
   47    49    50    70.00000  124.00000
   47    49    53    65.00000  117.92700
   49    47    48    85.00000  110.90400
   49    50    51    35.00000  120.00000
   49    50    52    35.00000  120.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   52    50    51    35.00000  117.00000
   53    49    50    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    47    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    47    46   0.56750  1.0 1.0
   29    33    47    46  -0.07550 -1.0 2.0
   29    33    47    46   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    46   7.00000 -1.0 2.0
   33    47    49    50   0.09850  1.0 1.0
   33    47    49    50   0.15250 -1.0 2.0
   33    47    49    50  -0.50650  1.0 3.0
   33    47    49    53   0.46850  1.0 1.0
   33    47    49    53   0.08550 -1.0 2.0
   33    47    49    53   0.09800  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33   -47    46   0.61850  1.0 1.0
   37    33   -47    46  -0.22750 -1.0 2.0
   37    33   -47    46   0.15300  1.0 3.0
   37    33    47    48   0.61850  1.0 1.0
   37    33    47    48  -0.22750 -1.0 2.0
   37    33    47    48   0.15300  1.0 3.0
   37    33    47    49   0.31000  1.0 1.0
   37    33    47    49   0.14700 -1.0 2.0
   37    33    47    49   0.07550  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47  -2.26850  1.0 1.0
   37    40   -46    47   3.39050 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46   -47    33  -0.46850  1.0 1.0
   40    46   -47    33   0.09300 -1.0 2.0
   40    46   -47    33  -0.12850  1.0 3.0
   40    46    47    48  -0.48150  1.0 1.0
   40    46    47    48   0.09250 -1.0 2.0
   40    46    47    48  -0.12850  1.0 3.0
   40    46    47    49  -0.48150  1.0 1.0
   40    46    47    49   0.09250 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.39000  1.0 1.0
   46    47    49    50  -0.05800 -1.0 2.0
   46    47    49    50  -0.55150  1.0 3.0
   46    47    49    53   0.09700  1.0 1.0
   46    47    49    53   0.15600 -1.0 2.0
   46    47    49    53  -0.50800  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    40   0.09850  1.0 1.0
   47    33   -37    40   0.15250 -1.0 2.0
   47    33   -37    40  -0.50650  1.0 3.0
   47    33    39    42   0.06250  1.0 1.0
   47    33    39    42  -0.01100 -1.0 2.0
   47    33    39    42   0.28050  1.0 3.0
   47    49    50    51   7.00000 -1.0 2.0
   47    49    50    52   7.00000 -1.0 2.0
   47    49    53    54   0.34800  1.0 3.0
   47    49    53    55   0.34800  1.0 3.0
   47    49    53    56   0.34800  1.0 3.0
   48    47    49    50   0.39000  1.0 1.0
   48    47    49    50  -0.05800 -1.0 2.0
   48    47    49    50  -0.55150  1.0 3.0
   48    47    49    53   0.09700  1.0 1.0
   48    47    49    53   0.15600 -1.0 2.0
   48    47    49    53  -0.50800  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   50    49    53    56   0.00000  1.0 1.0
   53    49    50    51   7.00000 -1.0 2.0
   53    49    50    52   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    47    46   1.11900  1.0 1.0
   39    33    47    46  -1.16350 -1.0 2.0
   39    33    47    46  -0.34150  1.0 3.0
   39    33    47    48   1.11900  1.0 1.0
   39    33    47    48  -1.16350 -1.0 2.0
   39    33    47    48  -0.34150  1.0 3.0
   39    33    47    49   0.61850  1.0 1.0
   39    33    47    49  -0.22750 -1.0 2.0
   39    33    47    49   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
   33    38    37    40   1.10000 -1.0 2.0
   41    46    40    37   1.10000 -1.0 2.0
   47    53    49    50  15.00000 -1.0 2.0
   51    52    50    49  15.00000 -1.0 2.0
END
