REMARK  Name = BDB027798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.794   0.712   0.109  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.558   2.100   0.114  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        0.782   2.491   0.177  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        0.996   3.873   0.192  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.046   4.843   0.143  0.00  0.00    -0.241 NA
ATOM      6  C   LIG    1       -1.224   4.424   0.062  0.00  0.00    +0.113 A 
ATOM      7 CL   LIG    1        2.593   4.528   0.279  0.00  0.00    -0.060 Cl
ATOM      8  N   LIG    1        1.785   1.590   0.218  0.00  0.00    -0.224 NA
ATOM      9  C   LIG    1        1.467   0.290   0.181  0.00  0.00    +0.163 A 
ATOM     10  C   LIG    1       -1.573   3.087   0.045  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        0.213  -0.174   0.130  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.569  -0.689   0.207  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        2.327  -2.070   0.153  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        3.396  -2.953   0.180  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.685  -2.567   0.258  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.913  -1.239   0.309  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.910  -0.283   0.287  0.00  0.00    +0.031 A 
ENDBRANCH   9  12
BRANCH   1  18
ATOM     18  N   LIG    1       -2.146   0.261   0.081  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1       -2.626   0.690   0.870  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -4.112  -1.196  -0.361  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -2.608  -1.127  -0.183  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -1.959  -2.311   0.490  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -1.810  -2.116  -0.995  0.00  0.00    +0.027 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3