REMARK  Name = BDB049721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.807  -0.140  -1.837  0.00  0.00    +0.134 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.915  -0.232  -0.909  0.00  0.00    -0.279 N 
ATOM      3  C   LIG    1       -2.313  -1.410  -0.307  0.00  0.00    +0.258 A 
ATOM      4  O   LIG    1       -1.809  -2.516  -0.425  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -3.491  -1.158   0.549  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -3.860   0.125   0.501  0.00  0.00    +0.069 A 
ATOM      7  S   LIG    1       -2.878   1.113  -0.524  0.00  0.00    -0.017 S 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        0.558  -0.195  -1.150  0.00  0.00    +0.033 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.822   1.015  -0.261  0.00  0.00    +0.122 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.240   0.990   0.243  0.00  0.00    +0.307 C 
ATOM     11  O   LIG    1        3.181   1.517  -0.334  0.00  0.00    -0.251 OA
BRANCH  10  13
ATOM     12  C   LIG    1        3.644   0.180   1.930  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        2.322   0.277   1.400  0.00  0.00    -0.468 OA
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
TORSDOF 5