REMARK  Name = BDB032993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.331   0.500   0.222  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.214  -0.547   0.105  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.886  -1.477  -0.107  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.581   1.683   0.398  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.472   1.796  -1.754  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -1.942   0.690  -0.851  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1       -1.092   0.082   0.091  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.573  -0.930   0.937  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.900  -1.347   0.844  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.750  -0.752  -0.086  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.278   0.262  -0.922  0.00  0.00    +0.004 A 
ENDBRANCH   1   7
BRANCH   2  12
ATOM     12  C   LIG    1        2.567  -0.384   0.198  0.00  0.00    +0.165 A 
ATOM     13  S   LIG    1        3.454  -1.827  -0.035  0.00  0.00    -0.061 S 
ATOM     14  C   LIG    1        4.908  -0.947   0.203  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        4.609   0.377   0.443  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1        3.266   0.694   0.441  0.00  0.00    -0.233 NA
ENDBRANCH   2  12
TORSDOF 2