REMARK  Name = BDB003229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.239   0.386  -0.099  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        0.686  -0.600   0.378  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        2.039  -0.370   0.001  0.00  0.00    +0.158 A 
ATOM      4  C   LIG    1        2.455   0.751  -0.828  0.00  0.00    +0.154 A 
ATOM      5  N   LIG    1        3.783   0.666  -1.002  0.00  0.00    -0.047 NA
ATOM      6  O   LIG    1        4.189  -0.459  -0.309  0.00  0.00    -0.241 OA
ATOM      7  C   LIG    1        1.516   1.681  -1.301  0.00  0.00    +0.074 A 
ATOM      8 CL   LIG    1        2.046   2.969  -2.272  0.00  0.00    -0.081 Cl
ATOM      9  N   LIG    1        3.125  -1.101   0.298  0.00  0.00    -0.047 NA
ATOM     10  C   LIG    1        0.184   1.475  -0.925  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.391  -0.445  -0.752  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -1.627   0.367   0.194  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1       -1.979   0.183   1.603  0.00  0.00    +0.129 C 
ENDBRANCH   1  12
BRANCH   2  14
ATOM     14  N   LIG    1        0.300  -1.687   1.183  0.00  0.00    -0.355 N 
ATOM     15  H   LIG    1        1.084  -2.311   1.375  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -0.499  -2.180   0.797  0.00  0.00    +0.142 HD
ENDBRANCH   2  14
TORSDOF 2