REMARK  Name = BDB002594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887  -0.099  -0.157  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.514   0.711   0.821  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -2.881   1.020   0.710  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -3.631   0.534  -0.359  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.022  -0.264  -1.320  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.662  -0.578  -1.220  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.299  -1.125  -0.889  0.00  0.00    +0.228 C 
ATOM      8  N   LIG    1        0.495  -0.398  -0.034  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        0.956   0.045   0.764  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.954  -1.678  -1.929  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.725  -1.245  -0.408  0.00  0.00    +0.216 C 
BRANCH  11  13
ATOM     12  O   LIG    1        3.137   1.072  -0.952  0.00  0.00    -0.250 OA
ATOM     13  C   LIG    1        3.565  -0.054  -0.757  0.00  0.00    +0.314 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.893  -0.324  -0.764  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1        5.123  -1.258  -0.595  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1       -0.736   1.231   1.979  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        0.425   0.952   2.233  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -1.433   2.073   2.762  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -0.797   2.348   3.456  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 6