REMARK  Name = BDB027927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.152   0.181  -0.616  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1       -0.033  -0.503  -1.366  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.380  -0.163   0.116  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        2.128  -1.286  -0.628  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        1.568  -2.086  -1.378  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        3.480  -1.377  -0.396  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        3.962  -2.115  -0.892  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.283  -0.444   0.207  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.503  -0.570   0.217  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.583   0.703   0.895  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.289   1.063   0.183  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -2.264  -0.093  -0.477  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -1.048   0.334   0.113  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.098   1.002   1.343  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -2.316   1.192   1.994  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1       -2.352   2.000   3.515  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -3.503   0.741   1.426  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -3.480   0.102   0.186  0.00  0.00    +0.049 A 
BRANCH  12  20
ATOM     19  C   LIG    1       -3.317  -1.106  -2.367  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -2.126  -0.715  -1.697  0.00  0.00    -0.493 OA
ENDBRANCH  12  20
ENDBRANCH   1  13
TORSDOF 3