REMARK  Name = BDB022043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.840  -0.264   1.424  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -1.480   0.392   0.185  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -2.722  -0.352  -0.297  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -3.699  -0.478   0.785  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -5.069  -0.255   0.668  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -5.864  -0.381   1.596  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.196  -0.867   2.098  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.747  -1.331   2.056  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -5.616   0.115  -0.645  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1       -5.657   1.445  -1.073  0.00  0.00    +0.053 A 
ATOM     11 CL   LIG    1       -5.029   2.741  -0.123  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -6.208   1.745  -2.322  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -6.719   0.725  -3.129  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.686  -0.600  -2.691  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.138  -0.908  -1.446  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1        1.467   0.158   0.823  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        1.151   1.113   0.936  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        0.536  -0.839   1.074  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        0.736  -2.047   1.018  0.00  0.00    -0.275 OA
BRANCH  16  23
ATOM     20  C   LIG    1        5.533  -0.128  -0.305  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.784  -1.292  -0.125  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        3.437  -1.231   0.249  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        2.817   0.001   0.449  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        3.570   1.168   0.267  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        4.919   1.106  -0.107  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  O   LIG    1        6.834  -0.334  -0.670  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1        9.040   0.356  -1.247  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        7.648   0.822  -0.856  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 5