REMARK  Name = BDB036969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.455   0.948  -0.055  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1        1.195   0.420  -0.052  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1        0.008   1.302  -0.127  0.00  0.00    +0.169 C 
ATOM      4  C   LIG    1       -1.062   0.291  -0.096  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1       -0.568  -1.006  -0.007  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.666  -1.817   0.011  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -2.744  -0.957  -0.059  0.00  0.00    -0.259 N 
ATOM      8  N   LIG    1       -2.388   0.355  -0.139  0.00  0.00    -0.174 NA
ATOM      9  C   LIG    1        0.899  -1.028   0.036  0.00  0.00    +0.150 C 
ATOM     10  O   LIG    1        2.681   2.148  -0.124  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.148  -1.338  -0.080  0.00  0.00    +0.193 C 
ATOM     12  C   LIG    1       -4.865  -0.785   1.132  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1       -4.789  -1.316   2.241  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.629   0.343   0.954  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.098   0.695   1.777  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.928   0.986  -0.220  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.720   1.925  -0.239  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.228   0.498  -1.464  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1       -4.875  -0.979  -1.377  0.00  0.00    +0.045 C 
ENDBRANCH   7  11
BRANCH   1  20
ATOM     20  O   LIG    1        3.401  -0.022   0.028  0.00  0.00    -0.445 OA
BRANCH  20  22
ATOM     21  C   LIG    1        5.239   0.994  -1.261  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        4.813   0.312   0.043  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1        5.174   1.149   1.275  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1        5.530  -1.043   0.145  0.00  0.00    +0.055 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 3