REMARK  Name = BDB000695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.242  -0.029  -0.366  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.649  -1.215  -1.150  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1        0.826  -2.027  -1.565  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        3.005  -1.381  -1.403  0.00  0.00    -0.420 OA
ATOM      5  C   LIG    1        3.976  -0.469  -0.944  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1        3.582   0.644  -0.207  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        4.554   1.540   0.244  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        5.900   1.310  -0.049  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        6.290   0.194  -0.787  0.00  0.00    +0.043 A 
ATOM     10 CL   LIG    1        7.092   2.418   0.509  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.322  -0.702  -1.238  0.00  0.00    +0.085 A 
ATOM     12 CL   LIG    1        5.818  -2.077  -2.149  0.00  0.00    -0.080 Cl
ATOM     13  C   LIG    1        2.168   0.841   0.073  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  16
ATOM     14  N   LIG    1       -1.110  -0.641  -0.486  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -0.746  -1.431  -1.020  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -0.192   0.274  -0.018  0.00  0.00    +0.255 C 
ATOM     17  O   LIG    1       -0.456   1.280   0.637  0.00  0.00    -0.270 OA
BRANCH  14  21
ATOM     18  C   LIG    1       -5.354   1.350   1.259  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.617   0.300   0.480  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -3.217   0.356   0.371  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.512  -0.629  -0.324  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.224  -1.687  -0.905  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.613  -1.760  -0.788  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.307  -0.772  -0.093  0.00  0.00    +0.003 A 
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 2