REMARK  Name = BDB020236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.237   3.039   0.362  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.641   1.700   0.163  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -2.267   0.477   0.059  0.00  0.00    +0.069 A 
ATOM      4  N   LIG    1       -1.252  -0.458  -0.109  0.00  0.00    -0.302 N 
ATOM      5  C   LIG    1       -1.508  -1.825  -0.247  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -2.777  -2.267  -0.221  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.855  -1.308  -0.051  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.061   0.253  -0.115  0.00  0.00    +0.126 A 
ATOM      9  C   LIG    1       -3.611   0.010   0.086  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.281   1.548   0.049  0.00  0.00    -0.236 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.287  -0.375  -0.315  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1        1.763  -0.991   0.996  0.00  0.00    +0.230 C 
ATOM     13  O   LIG    1        1.040  -1.653   1.740  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        3.106  -0.882   1.278  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        3.408  -1.335   2.130  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        4.109  -0.546   0.405  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.285  -0.774   0.673  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.678   0.015  -0.927  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1        2.304   0.653  -0.824  0.00  0.00    +0.030 C 
ENDBRANCH   8  11
TORSDOF 1