REMARK  Name = BDB036942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.874   0.515   0.138  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.670   0.295   0.051  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.818   1.210  -0.504  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.271   2.086  -0.733  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.508   1.346  -0.123  0.00  0.00    +0.236 C 
ATOM      6  O   LIG    1       -1.033   2.478  -0.023  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.740   0.051   0.260  0.00  0.00    +0.144 C 
ATOM      8  C   LIG    1       -1.662  -1.165   0.031  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -3.028  -0.927   0.650  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.511  -0.140  -0.523  0.00  0.00    -0.289 NA
ATOM     11  C   LIG    1        1.315   1.086  -0.712  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1        2.743   0.795  -1.228  0.00  0.00    +0.096 C 
ATOM     13  N   LIG    1        3.558  -0.032  -0.326  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1        4.181   0.564   0.218  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        2.717  -0.805   0.596  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1        1.359  -1.241  -0.002  0.00  0.00    +0.100 C 
ENDBRANCH   7  10
TORSDOF 1