REMARK  Name = BDB060834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.919   0.118  -0.798  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -0.411  -0.014   0.507  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -1.328  -0.079   1.568  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.704  -0.015   1.337  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.187   0.115   0.038  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.296   0.182  -1.033  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        1.020  -0.086   0.805  0.00  0.00    +0.166 A 
ATOM      8  N   LIG    1        2.015  -0.033  -0.139  0.00  0.00    -0.316 N 
ATOM      9  H   LIG    1        1.874   0.060  -1.134  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        3.186  -0.130   0.533  0.00  0.00    +0.186 A 
ATOM     11  N   LIG    1        2.964  -0.237   1.817  0.00  0.00    -0.123 NA
ATOM     12  N   LIG    1        1.595  -0.209   1.992  0.00  0.00    -0.128 NA
BRANCH  10  13
ATOM     13  S   LIG    1        4.698  -0.106  -0.276  0.00  0.00    -0.104 S 
ATOM     14  H   LIG    1        5.460  -0.227   0.821  0.00  0.00    +0.110 HD
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  15
ATOM     15  O   LIG    1       -0.059   0.186  -1.868  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1       -0.591   0.275  -2.679  0.00  0.00    +0.292 HD
ENDBRANCH   1  15
TORSDOF 3