REMARK  Name = BDB018258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.937   0.142   1.060  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        2.056  -0.599   2.186  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.853  -1.163   2.322  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.040  -0.793   1.293  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.696   0.049   0.490  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.399  -1.207   1.090  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.473  -0.254   0.776  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -3.728  -0.686   0.560  0.00  0.00    +0.116 A 
ATOM      9  C   LIG    1       -4.066  -2.126   0.652  0.00  0.00    +0.255 A 
ATOM     10  O   LIG    1       -5.224  -2.479   0.446  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -3.018  -2.975   0.977  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -3.266  -4.404   1.088  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.730  -2.511   1.182  0.00  0.00    +0.101 A 
BRANCH   7  14
ATOM     14  O   LIG    1       -2.072   1.073   0.738  0.00  0.00    -0.488 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.092   2.061   0.513  0.00  0.00    +0.174 C 
ATOM     16  C   LIG    1       -2.585   3.370  -0.032  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       -3.361   2.441  -0.918  0.00  0.00    +0.048 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  19
ATOM     18  C   LIG    1        2.793   2.444   0.882  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        3.067   0.963   0.607  0.00  0.00    +0.134 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.450   0.611  -0.826  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        4.129  -0.598  -1.067  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.494  -0.971  -2.362  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.184  -0.144  -3.438  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.506   1.053  -3.219  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.139   1.429  -1.924  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5