REMARK  Name = BDB018647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.292  -0.506   0.223  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.241  -0.315   1.124  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.009   0.157   0.674  0.00  0.00    +0.040 A 
ATOM      4  N   LIG    1       -0.034   0.358   1.582  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        0.152   0.312   2.577  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -1.312   0.704   1.226  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -1.665   0.567  -0.258  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -2.958   1.322  -0.599  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -4.050   0.300  -0.644  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -3.488  -0.996  -0.199  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -0.492   1.072  -1.108  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -2.015  -0.898  -0.565  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -2.130   1.000   2.093  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.814   0.463  -0.675  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.869   0.284  -1.574  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.100  -0.208  -1.128  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.547  -1.198  -0.087  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.444  -0.983   0.785  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
BRANCH   9  19
ATOM     19  C   LIG    1       -5.352   0.608  -0.568  0.00  0.00    +0.169 C 
ATOM     20  N   LIG    1       -6.477   0.873  -0.511  0.00  0.00    -0.174 NA
ENDBRANCH   9  19
TORSDOF 2