REMARK  Name = BDB003232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.340   0.942   1.222  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1       -2.406  -0.115   1.571  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1       -2.703  -0.528   2.680  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -3.070  -0.510   0.326  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -2.529   0.182  -0.754  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -2.991  -0.013  -2.043  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.029  -0.932  -2.227  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.577  -1.631  -1.133  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.097  -1.423   0.163  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.458   1.078  -0.309  0.00  0.00    +0.222 C 
ATOM     11  O   LIG    1       -0.796   1.777  -1.058  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1  14
ATOM     12  O   LIG    1        0.052  -1.379   0.710  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        0.635  -0.466   1.288  0.00  0.00    +0.220 C 
ATOM     14  N   LIG    1       -0.003   0.690   1.679  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1        0.576   1.521   1.718  0.00  0.00    +0.152 HD
BRANCH  13  16
ATOM     16  C   LIG    1        2.115  -0.513   1.615  0.00  0.00    +0.132 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.966  -0.106   0.436  0.00  0.00    -0.020 A 
ATOM     18  C   LIG    1        3.293   1.231   0.159  0.00  0.00    +0.045 A 
ATOM     19 CL   LIG    1        2.771   2.526   1.177  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        4.060   1.558  -0.963  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.504   0.556  -1.826  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.178  -0.772  -1.570  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.412  -1.102  -0.451  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   1  24
ATOM     24  O   LIG    1       -1.696   2.145   1.874  0.00  0.00    -0.359 OA
ATOM     25  H   LIG    1       -1.763   1.903   2.817  0.00  0.00    +0.213 HD
ENDBRANCH   1  24
TORSDOF 4