* LIGAND DATABASE FILE (OPLS2005)
*
001      48    48     85    128     248
    1     0 S   NP   _N1_     1    28.87131    95.92093   -23.64499
    2     1 S   H    _HN1     2     1.02948    73.60562     5.45176
    3     1 S   H    _H1_     3     1.02828    34.93484   168.40521
    4     1 S   H    _H2_     4     1.02794   109.89454   -98.60788
    5     1 S   CT   _CA1     5     1.50122   133.27791   108.31740
    6     5 S   HC   _HA1     6     1.09575   105.16573    91.30348
    7     5 S   CO3  _C1_     7     1.53767   112.46275   -28.90222
    8     7 S   O2Z  _O11     8     1.26375   115.00516   -42.70809
    9     7 S   O2Z  _O12     9     1.26236   114.93843   136.32221
   10     5 S   CT   _CB1    10     1.53063   107.41103  -150.73824
   11    10 S   HC   HB11    11     1.09840   109.31967   -49.53605
   12    10 S   HC   HB12    12     1.09810   110.47937    67.05508
   13    10 S   CT   _CG1    13     1.53020   112.64012  -170.48043
   14    13 S   HC   HG11    14     1.09571   110.71793   -67.28809
   15    13 S   HC   HG12    15     1.09671   109.70771    51.95866
   16    13 S   C    _CD1    16     1.51813   112.02173   172.42529
   17    16 S   O    _OE1    17     1.22754   123.19309    11.64875
   18    16 S   N    _N2_    18     1.38640   111.81831  -168.32919
   19    18 S   H    _HN2    19     1.01583   119.00466     0.96672
   20    18 S   CT1  _CA2    20     1.46236   123.40388   176.59763
   21    20 S   HC   _HA2    21     1.09740   109.26220     7.60055
   22    20 S   C    _C2_    22     1.53688   108.93824  -107.88249
   23    22 S   O    _O2_    23     1.23082   122.24988  -149.66017
   24    20 S   CT   _CB2    32     1.53250   111.57524   129.56652
   25    24 S   HC   HB21    33     1.09616   110.13426    56.63593
   26    24 S   HC   HB22    34     1.09558   110.24284   175.15710
   27    22 S   N    _N3_    24     1.38314   113.89676    37.90269
   28    27 S   H    _HN3    25     1.01539   119.61251    -3.28605
   29    24 S   S    _SG2    35     1.82641   111.53436   -64.71871
   30    27 S   CT   _CA3    26     1.45283   123.29875   177.15889
   31    30 S   HC   HA31    27     1.09546   107.51217   -64.84916
   32    30 S   HC   HA32    28     1.09554   108.00298    51.61694
   33    29 S   CM   _C6_    36     1.76134    98.98673   179.34032
   34    30 S   CO3  _C3_    29     1.52977   114.02344   173.61288
   35    34 S   O2Z  _O31    30     1.26386   116.06652    -0.54500
   36    34 S   O2Z  _O32    31     1.26422   114.42313   179.51665
   37    33 S   CM   _C7_    37     1.35650   122.85929    92.25626
   38    37 S   Cl   Cl3_    38     1.74735   121.52621     0.66470
   39    37 S   CM   _C8_    39     1.46899   120.71524  -177.94691
   40    39 S   Cl   Cl2_    40     1.74423   118.33082  -160.91491
   41    39 S   CM   _C9_    41     1.35267   120.57270    20.47828
   42    41 S   Cl   Cl1_    42     1.74695   121.43548   173.65807
   43    41 S   CT   _C4_    43     1.53746   120.12343    -2.11526
   44    43 S   OM   _O34    44     1.32840   112.37658  -155.11859
   45    43 S   HC   _H3_    45     1.10543   102.60001    78.88490
   46    33 S   CT   _C5_    46     1.54211   116.33237   -85.62108
   47    46 S   OM   _O33    47     1.33314   105.37935   -93.32094
   48    46 S   HC   _H4_    48     1.10316   106.86995    33.78704
  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   8   5   4   3
  11   2   1   1   9   4   7   3   7   4   5   4   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    44    45    46    47    48  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    47    48  
   39    40    41    46  
   40    41    42    43    44    45    46  
   41    42    43  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46    47    48  
   45    46    47    48  
   46    47    48  
   47    48  
   48  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   39   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   41   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   43   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   2.5000   0.0500   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   240.000  1.763
   33    37   549.000  1.340
   33    46   317.000  1.510
   37    38   300.000  1.725
   37    39   380.000  1.444
   39    40   300.000  1.725
   39    41   549.000  1.340
   41    42   300.000  1.725
   41    43   317.000  1.510
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   570.000  1.307
   46    48   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    46    65.00000  117.37300
   33    37    38    75.00000  121.50000
   33    37    39    70.00000  123.01800
   33    46    43    70.00000  112.02700
   33    46    47    85.00000  110.90400
   33    46    48    35.00000  109.50000
   37    39    40    75.00000  121.50000
   37    39    41    70.00000  123.01800
   39    37    38    75.00000  121.50000
   39    41    42    75.00000  121.50000
   39    41    43    70.00000  124.00000
   41    39    40    75.00000  121.50000
   41    43    44    85.00000  110.90400
   41    43    45    35.00000  109.50000
   41    43    46    70.00000  112.02700
   43    41    42    75.00000  111.02000
   43    46    47    50.00000  109.50000
   43    46    48    37.50000  110.70000
   45    43    44    45.00000  125.66300
   46    33    37    70.00000  124.00000
   46    43    44    50.00000  109.50000
   46    43    45    37.50000  110.70000
   48    46    47    45.00000  125.66300
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    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   1.00000 -1.0 2.0
   24    29    33    46   1.00000 -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    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    46    43   0.09700  1.0 1.0
   29    33    46    43   0.15600 -1.0 2.0
   29    33    46    43  -0.50800  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   29    33    46    48   0.00000  1.0 1.0
   33    37    39    40  -0.18600  1.0 3.0
   33    37    39    41   0.28850  1.0 1.0
   33    37    39    41   2.61350 -1.0 2.0
   33    37    39    41   0.78400  1.0 3.0
   37    33    46    43   0.09850  1.0 1.0
   37    33    46    43   0.15250 -1.0 2.0
   37    33    46    43  -0.50650  1.0 3.0
   37    33    46    47   0.39000  1.0 1.0
   37    33    46    47  -0.05800 -1.0 2.0
   37    33    46    47  -0.55150  1.0 3.0
   37    33    46    48   0.00000  1.0 1.0
   37    39    41    42   7.00000 -1.0 2.0
   37    39   -41    43   7.00000 -1.0 2.0
   38    37    39    40   1.08500 -1.0 2.0
   38    37    39    41  -0.18600  1.0 3.0
   39    41    43    44   0.39000  1.0 1.0
   39    41    43    44  -0.05800 -1.0 2.0
   39    41    43    44  -0.55150  1.0 3.0
   39    41    43    45   0.00000  1.0 1.0
   39    41    43    46   0.09850  1.0 1.0
   39    41    43    46   0.15250 -1.0 2.0
   39    41    43    46  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   41    43   -46    33   0.31000  1.0 1.0
   41    43   -46    33   0.14700 -1.0 2.0
   41    43   -46    33   0.07550  1.0 3.0
   41    43    46    47   0.61850  1.0 1.0
   41    43    46    47  -0.22750 -1.0 2.0
   41    43    46    47   0.15300  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   42    41    43    44   0.09700  1.0 1.0
   42    41    43    44   0.15600 -1.0 2.0
   42    41    43    44  -0.50800  1.0 3.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.09700  1.0 1.0
   42    41    43    46   0.15600 -1.0 2.0
   42    41    43    46  -0.50800  1.0 3.0
   44    43    46    33   0.61850  1.0 1.0
   44    43    46    33  -0.22750 -1.0 2.0
   44    43    46    33   0.15300  1.0 3.0
   44    43    46    47   1.11900  1.0 1.0
   44    43    46    47  -1.16350 -1.0 2.0
   44    43    46    47  -0.34150  1.0 3.0
   44    43    46    48   0.23400  1.0 3.0
   45    43    46    33   0.15000  1.0 3.0
   45    43    46    47   0.23400  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   46    33    37    38   7.00000 -1.0 2.0
   46    33   -37    39   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
   35    30    34    36  10.50000 -1.0 2.0
   29    46    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   37    40    39    41   1.10000 -1.0 2.0
   43    42    41    39   1.10000 -1.0 2.0
END
