REMARK  Name = BDB040482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.108  -1.381   1.072  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -2.767  -0.015   1.155  0.00  0.00    +0.047 A 
ATOM      3 CL   LIG    1       -3.847   1.274   0.755  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1       -1.484   0.395   1.552  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.491  -0.533   1.875  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1       -0.796  -1.889   1.767  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -2.075  -2.305   1.371  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -2.294  -4.022   1.243  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -7.057   0.250  -1.798  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.301  -0.425  -1.106  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -6.539  -0.604   0.233  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -7.327  -0.089   0.601  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -5.686  -1.129   1.173  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -5.900  -0.960   2.372  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.484  -1.909   0.661  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -4.597  -2.230  -0.835  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -5.033  -1.030  -1.655  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        0.887  -0.074   2.269  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.693   0.163   1.096  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.107  -0.629   0.626  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        1.857   1.425   0.554  0.00  0.00    +0.224 C 
ATOM     22  O   LIG    1        1.359   2.419   1.088  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1        2.710   1.438  -0.798  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1        2.484   2.704  -1.711  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1        1.363   1.925  -2.419  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        2.083   0.633  -1.998  0.00  0.00    +0.021 C 
BRANCH  23  27
ATOM     27  C   LIG    1        4.238   1.134  -0.401  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1        4.853  -0.115  -0.630  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.180  -0.365  -0.267  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.936   0.631   0.342  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.365   1.874   0.586  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.038   2.117   0.220  0.00  0.00    +0.004 A 
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5