REMARK  Name = BDB036919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.863   0.371   0.130  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1       -1.524   0.356   1.515  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1       -0.926   0.562   2.570  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -2.893   0.197   1.522  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -3.330   0.204   2.434  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -3.737   0.068   0.449  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -4.954   0.002   0.603  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.101   0.097  -0.921  0.00  0.00    +0.099 C 
ATOM      9  C   LIG    1       -1.677  -0.434  -0.882  0.00  0.00    +0.045 C 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.739   1.486  -0.738  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        2.717   0.504  -0.226  0.00  0.00    +0.059 A 
ATOM     12  N   LIG    1        1.468   0.848  -0.270  0.00  0.00    -0.173 NA
ATOM     13  N   LIG    1        0.536  -0.052   0.212  0.00  0.00    -0.217 N 
ATOM     14  C   LIG    1        0.854  -1.331   0.654  0.00  0.00    +0.268 A 
ATOM     15  O   LIG    1        0.034  -2.178   1.000  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.291  -1.662   0.704  0.00  0.00    +0.073 A 
ATOM     17  C   LIG    1        3.209  -0.788   0.290  0.00  0.00    +0.030 A 
ENDBRANCH   1  13
TORSDOF 1