REMARK  Name = BDB012431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.601  -3.587  -2.305  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.393  -2.464  -1.364  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.197  -1.904  -0.928  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1        0.227  -1.983  -1.030  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        0.729  -0.955  -0.168  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.389  -0.169   0.469  0.00  0.00    +0.161 C 
ATOM      7  O   LIG    1        0.822  -2.797  -1.714  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.540  -0.900  -0.082  0.00  0.00    +0.077 A 
ATOM      9  N   LIG    1       -2.887  -0.863  -0.014  0.00  0.00    -0.263 N 
ATOM     10  N   LIG    1       -3.442  -1.820  -0.808  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.083  -0.731   0.100  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        3.081  -1.335  -0.576  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.423  -1.097  -0.314  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        5.413  -1.796  -1.119  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.850  -0.205   0.663  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        6.026   0.046   0.910  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.763   0.462   1.443  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.194   1.403   2.523  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.478   0.190   1.157  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   6  20
ATOM     20  C   LIG    1       -0.407   1.304   0.091  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -0.657   2.274   1.078  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.698   3.632   0.750  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.495   4.033  -0.568  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.549   5.705  -0.969  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.252   3.089  -1.561  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.210   1.731  -1.234  0.00  0.00    +0.007 A 
ENDBRANCH   6  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.734   0.044   0.749  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -4.764  -0.707   1.593  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -4.404   1.068  -0.165  0.00  0.00    +0.032 C 
ENDBRANCH   9  27
TORSDOF 3