REMARK  Name = BDB048215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.303  -0.839   0.480  0.00  0.00    +0.141 C 
ATOM      2  O   LIG    1       -0.259  -2.068   0.554  0.00  0.00    -0.297 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.611  -0.108   0.646  0.00  0.00    +0.148 C 
BRANCH   3   5
ATOM      4  C   LIG    1       -3.609   0.880  -0.613  0.00  0.00    +0.086 C 
ATOM      5  C   LIG    1       -2.172   0.429  -0.643  0.00  0.00    +0.137 C 
ATOM      6  O   LIG    1       -1.494   0.535  -1.665  0.00  0.00    -0.297 OA
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1   7
ATOM      7  C   LIG    1        0.945   0.002   0.294  0.00  0.00    +0.086 C 
BRANCH   7   8
ATOM      8  C   LIG    1        2.084  -0.809  -0.308  0.00  0.00    +0.128 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.300   0.048  -0.510  0.00  0.00    +0.305 C 
ATOM     10  O   LIG    1        3.470   1.188  -0.113  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        4.265  -0.593  -1.196  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        4.994   0.060  -1.258  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
TORSDOF 6