REMARK  Name = BDB032950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.543   0.502   0.501  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.221   0.279   0.831  0.00  0.00    -0.276 N 
ATOM      3  H   LIG    1        0.035  -0.044   1.755  0.00  0.00    +0.156 HD
ATOM      4  O   LIG    1       -1.974   0.737  -0.625  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.822  -0.120   1.403  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.517   0.376   1.633  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.125   0.760   2.929  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.002   0.613   4.002  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.273   0.091   3.787  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.681  -0.268   2.499  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -5.474  -1.108  -1.853  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.414  -0.983  -0.350  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -4.223  -0.436   0.081  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -3.546  -0.177  -0.641  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -6.340  -1.377   0.350  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        0.811   0.374  -0.072  0.00  0.00    +0.072 A 
ATOM     17  S   LIG    1        2.326  -0.031   0.577  0.00  0.00    -0.073 S 
ATOM     18  C   LIG    1        3.122   0.262  -0.919  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        2.218   0.676  -1.882  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        0.878   0.737  -1.392  0.00  0.00    +0.032 A 
BRANCH  18  21
ATOM     21  C   LIG    1        4.576   0.096  -1.037  0.00  0.00    -0.011 A 
ATOM     22  C   LIG    1        5.230  -1.040  -0.538  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        6.614  -1.184  -0.671  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.361  -0.196  -1.307  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.726   0.936  -1.813  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.342   1.080  -1.681  0.00  0.00    +0.009 A 
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4