REMARK  Name = BDB036863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.159  -0.047  -0.360  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        1.490   0.075  -0.794  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1        1.871   0.966  -1.887  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -0.118  -0.666   0.669  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.524  -0.314   0.186  0.00  0.00    +0.162 C 
ATOM      6  C   LIG    1        2.956   0.865   1.079  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.387   1.954   1.117  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        4.066   0.631   1.860  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.351   1.411   2.438  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        5.048  -0.294   1.613  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        6.148  -0.207   2.151  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.697  -1.421   0.670  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        3.773  -0.938  -0.440  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -0.916   0.596  -1.234  0.00  0.00    +0.131 C 
BRANCH  14  19
ATOM     15  C   LIG    1       -6.317   0.315   0.942  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -4.920   0.371   0.400  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -4.035   1.368   0.822  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -2.742   1.437   0.298  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.316   0.518  -0.670  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -3.204  -0.477  -1.095  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.498  -0.545  -0.571  0.00  0.00    +0.003 A 
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 3