REMARK  Name = BDB051636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.397  -0.117   1.622  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.259  -0.330   1.226  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.574   0.577   0.263  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.211   0.402  -0.039  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -1.615   1.209  -1.024  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -0.184   0.949  -1.411  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.107  -0.545  -1.262  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -0.112  -0.985   0.118  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.830  -1.622   0.916  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        0.582  -1.917   2.089  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.357   2.225  -1.638  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.699   2.416  -1.304  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.398  -0.621   0.744  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -2.302  -1.838   1.028  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.311   1.587  -0.364  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -3.556  -1.436   1.640  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -4.077  -2.090   2.211  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.196  -1.957   0.333  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.144  -0.780   0.263  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1        3.955  -0.600  -0.869  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.847   0.473  -0.939  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.945   1.364   0.126  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        6.042   2.687   0.037  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        4.164   1.187   1.265  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.273   0.114   1.337  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2