REMARK  Name = BDB023348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.649   1.016  -0.240  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.106  -0.257   0.111  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.442  -1.016   0.241  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.388   1.970  -0.430  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.164  -0.118  -0.567  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        3.894  -0.659  -0.329  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        2.827   0.230  -0.418  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        2.953   1.577  -0.736  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.635   2.101  -0.720  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        0.788   1.058  -0.394  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        4.235   2.095  -0.995  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1        1.520  -0.088  -0.211  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        5.336   1.230  -0.914  0.00  0.00    +0.014 A 
BRANCH   5  16
ATOM     14  C   LIG    1        7.372   0.242   1.395  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1        7.420  -0.693   0.279  0.00  0.00    -0.304 N 
ATOM     16  C   LIG    1        6.330  -1.028  -0.520  0.00  0.00    +0.246 C 
ATOM     17  O   LIG    1        6.279  -2.040  -1.216  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        8.605  -1.530   0.202  0.00  0.00    +0.132 C 
ENDBRANCH   5  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  S   LIG    1       -2.636  -0.582   0.659  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -2.944   0.428   1.645  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.623  -1.991   0.993  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.691  -0.408  -0.764  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1       -5.064  -0.133  -0.611  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -5.834   0.033  -1.780  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.268  -0.089  -3.051  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.918  -0.390  -3.183  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.129  -0.554  -2.045  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.752  -0.054   0.685  0.00  0.00    -0.016 A 
ATOM     29  C   LIG    1       -6.179   1.181   1.197  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -6.850   1.254   2.420  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.106   0.092   3.145  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.692  -1.143   2.649  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.022  -1.215   1.426  0.00  0.00    +0.008 A 
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 5