REMARK  Name = BDB004001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.838   1.088  -0.344  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.071   0.287   0.497  0.00  0.00    -0.302 NA
ATOM      3  C   LIG    1        1.126   1.122   1.100  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        2.438   1.099   0.320  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1        3.013  -0.314   0.239  0.00  0.00    +0.002 C 
ATOM      6  C   LIG    1        1.935  -1.384   0.389  0.00  0.00    +0.015 C 
ATOM      7  C   LIG    1        0.597  -0.908  -0.179  0.00  0.00    +0.084 C 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  C   LIG    1       -2.108  -0.573  -1.873  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1       -2.188   0.471  -0.761  0.00  0.00    +0.108 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.954   0.018   0.460  0.00  0.00    +0.309 C 
ATOM     11  O   LIG    1       -3.417   0.755   1.318  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -3.116  -1.314   0.564  0.00  0.00    -0.480 OA
ATOM     13  H   LIG    1       -3.575  -1.421   1.424  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 4