REMARK  Name = BDB002056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.518  -0.232  -1.535  0.00  0.00    +0.217 C 
ATOM      2  N   LIG    1        0.708  -0.514  -0.968  0.00  0.00    -0.315 N 
ATOM      3  H   LIG    1        0.833  -0.301   0.015  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.686  -0.132  -2.746  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.023  -0.225  -1.131  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -1.625  -0.004  -0.505  0.00  0.00    +0.089 C 
ATOM      7  C   LIG    1       -1.464   1.410   0.072  0.00  0.00    +0.013 C 
ATOM      8  C   LIG    1       -2.519   1.726   1.129  0.00  0.00    +0.001 C 
ATOM      9  C   LIG    1       -3.907   1.188   0.790  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1       -4.051   0.832  -0.686  0.00  0.00    +0.015 C 
BRANCH   5  12
ATOM     11  O   LIG    1       -4.546  -1.926  -0.219  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1       -3.509  -1.621  -0.784  0.00  0.00    +0.309 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.662  -2.583  -1.197  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1       -3.116  -3.420  -0.966  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1        1.909  -0.576  -1.783  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.054  -1.318  -1.089  0.00  0.00    +0.054 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.500  -0.659   0.196  0.00  0.00    -0.046 A 
ATOM     18  C   LIG    1        3.212  -1.251   1.434  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.605  -0.633   2.622  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.291   0.580   2.584  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.586   1.174   1.359  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.194   0.558   0.170  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 6