REMARK  Name = BDB036796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.220  -0.469   0.919  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.665   0.224   0.121  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.336   1.041  -0.385  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.147  -1.229   1.808  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.099   0.180   0.378  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.761   1.337  -0.378  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.125   2.296  -0.814  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.122   1.254  -0.534  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.548   2.013  -1.049  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.867   0.102  -0.489  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.002   0.068  -0.953  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.228  -1.091   0.182  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.729  -1.133  -0.076  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1        5.872   0.294   0.317  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1        4.388   0.113   0.428  0.00  0.00    +0.038 A 
ATOM     16  N   LIG    1        3.910  -0.411   1.580  0.00  0.00    -0.259 NA
ATOM     17  C   LIG    1        2.567  -0.580   1.679  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        1.664  -0.236   0.681  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        2.179   0.291  -0.504  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        3.558   0.471  -0.631  0.00  0.00    +0.024 A 
ENDBRANCH   1  18
TORSDOF 2