REMARK  Name = BDB027941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.041   0.853   0.682  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1       -0.212   1.295   1.572  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.468   0.503   0.647  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        1.797  -0.860   1.276  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        1.290  -1.271   2.318  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        2.772  -1.597   0.646  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        2.987  -2.488   1.073  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.697  -1.141  -0.258  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.673  -1.820  -0.561  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.504   0.266  -0.773  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.038   0.663  -0.761  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -2.319   0.331   0.766  0.00  0.00    +0.159 A 
ATOM     13  C   LIG    1       -1.011  -0.010   0.342  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.881  -1.129  -0.488  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -1.986  -1.924  -0.817  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -3.253  -1.607  -0.334  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -3.423  -0.479   0.464  0.00  0.00    +0.084 A 
ATOM     18 CL   LIG    1       -5.005  -0.122   1.056  0.00  0.00    -0.080 Cl
BRANCH  12  20
ATOM     19  C   LIG    1       -2.751   2.590   0.753  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -2.473   1.447   1.566  0.00  0.00    -0.492 OA
ENDBRANCH  12  20
ENDBRANCH   1  13
TORSDOF 3