REMARK  Name = BDB011612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.222   1.115   0.272  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.860  -0.091   0.519  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.305  -0.784   0.999  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.782   2.200   0.195  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.209  -0.307   0.434  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        3.170   0.377  -0.501  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1        2.861   1.233  -1.311  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.428  -0.199  -0.244  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1        4.295  -1.183   0.778  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1        5.009  -2.436   0.493  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1        2.932  -1.225   1.100  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        2.434  -2.190   2.128  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.656   0.480  -0.453  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1        5.912   1.170  -1.645  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1        5.052   1.119  -2.672  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1        7.112   1.853  -1.844  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        8.087   1.853  -0.850  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        7.861   1.160   0.337  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.657   0.475   0.532  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  25
ATOM     20  C   LIG    1       -1.619  -1.151  -1.172  0.00  0.00    +0.068 C 
ATOM     21  C   LIG    1       -2.020  -0.009  -0.314  0.00  0.00    +0.074 A 
ATOM     22  N   LIG    1       -3.331   0.374  -0.023  0.00  0.00    -0.216 N 
ATOM     23  N   LIG    1       -3.305   1.580   0.586  0.00  0.00    -0.060 NA
ATOM     24  N   LIG    1       -2.051   1.956   0.768  0.00  0.00    -0.124 NA
ATOM     25  C   LIG    1       -1.236   0.995   0.247  0.00  0.00    +0.170 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.560  -0.327  -0.227  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1       -5.791   0.365  -0.421  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1       -6.934  -0.431  -0.670  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -6.888  -1.824  -0.674  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -8.319  -2.731  -0.969  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -5.693  -2.482  -0.437  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -4.534  -1.738  -0.216  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -5.927   1.882  -0.469  0.00  0.00    +0.021 C 
ATOM     34  C   LIG    1       -7.224   2.594  -0.139  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -6.085   2.652   0.825  0.00  0.00    +0.009 C 
ENDBRANCH  27  33
ENDBRANCH  22  26
ENDBRANCH   1  25
TORSDOF 5