REMARK  Name = BDB023396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.388  -0.563   1.968  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -2.590  -0.348   1.270  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -2.563  -0.225   0.266  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.361  -0.962   3.122  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        4.187   0.109  -0.008  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        3.347  -0.311   1.039  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        1.974  -0.185   0.844  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        1.392   0.324  -0.307  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -0.010   0.274  -0.085  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1       -0.207  -0.262   1.180  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        2.231   0.744  -1.351  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1        1.015  -0.536   1.740  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        3.621   0.629  -1.186  0.00  0.00    +0.005 A 
BRANCH   5  15
ATOM     14  C   LIG    1        6.303  -0.959  -0.875  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1        5.694  -0.010   0.160  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        6.376   1.359   0.115  0.00  0.00    +0.012 C 
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  S   LIG    1       -4.048  -0.848   1.897  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1       -4.332  -0.040   3.062  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -4.088  -2.292   1.928  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -5.213  -0.351   0.643  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1       -5.094  -0.769  -0.686  0.00  0.00    +0.069 A 
ATOM     22 CL   LIG    1       -3.786  -1.729  -1.276  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -6.054  -0.371  -1.625  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1       -7.122   0.436  -1.235  0.00  0.00    +0.042 A 
ATOM     25 CL   LIG    1       -8.293   0.922  -2.397  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -7.245   0.855   0.087  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -6.292   0.462   1.028  0.00  0.00    +0.032 A 
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 4