REMARK  Name = BDB002217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.143  -2.308   0.509  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.825  -1.313   0.741  0.00  0.00    +0.235 C 
ATOM      3  N   LIG    1        0.618  -0.098   0.120  0.00  0.00    -0.314 N 
ATOM      4  H   LIG    1        1.140   0.712   0.456  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.415   0.119  -0.872  0.00  0.00    +0.107 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.617   0.892  -0.299  0.00  0.00    +0.006 C 
ATOM      7  C   LIG    1       -2.333   0.086   0.803  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -3.776   0.540   0.984  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -4.599   0.317  -0.285  0.00  0.00    +0.000 C 
ATOM     10  C   LIG    1       -3.767   0.379  -1.567  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1       -2.580   1.324  -1.425  0.00  0.00    +0.005 C 
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  12
ATOM     12  C   LIG    1        1.908  -1.305   1.821  0.00  0.00    +0.243 C 
BRANCH  12  13
ATOM     13  N   LIG    1        3.224  -0.954   1.285  0.00  0.00    -0.219 N 
ATOM     14  C   LIG    1        3.559   0.382   1.090  0.00  0.00    +0.288 A 
ATOM     15  O   LIG    1        2.761   1.298   1.298  0.00  0.00    -0.265 OA
ATOM     16  C   LIG    1        4.934   0.652   0.582  0.00  0.00    +0.126 A 
ATOM     17 CL   LIG    1        5.371   2.306   0.342  0.00  0.00    -0.076 Cl
ATOM     18  C   LIG    1        5.761  -0.363   0.328  0.00  0.00    +0.084 A 
ATOM     19 CL   LIG    1        7.366  -0.229  -0.262  0.00  0.00    -0.080 Cl
ATOM     20  C   LIG    1        5.251  -1.716   0.579  0.00  0.00    +0.154 A 
ATOM     21  N   LIG    1        4.074  -2.006   1.029  0.00  0.00    -0.175 NA
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 4