REMARK  Name = BDB040471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.658   1.262  -1.364  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.765   0.580  -1.871  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.954   0.464  -1.129  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -4.195  -0.459  -1.900  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.080   1.040   0.153  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.932   1.698   0.660  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -1.887   2.399   2.247  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.749   1.806  -0.083  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.342   0.974   1.016  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -5.669   1.083   0.279  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -5.959   2.053  -0.420  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.545   0.032   0.410  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -7.412   0.128  -0.101  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.255  -1.243   0.823  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.047  -2.163   0.639  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.893  -1.466   1.431  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.337  -0.184   2.023  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.623   1.358  -2.149  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.462   0.334  -0.855  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        1.493   0.244  -1.841  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.232  -0.659  -2.210  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.674   1.394  -0.271  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.217  -0.979  -0.558  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1        2.224  -2.021  -0.012  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        3.876  -1.523  -1.837  0.00  0.00    +0.030 C 
BRANCH  23  29
ATOM     26  C   LIG    1        7.302   0.926   1.243  0.00  0.00    +0.111 C 
ATOM     27  C   LIG    1        6.071   0.120   1.251  0.00  0.00    +0.214 A 
ATOM     28  O   LIG    1        5.332   0.096   0.100  0.00  0.00    -0.424 OA
ATOM     29  C   LIG    1        4.271  -0.695   0.469  0.00  0.00    +0.232 A 
ATOM     30  N   LIG    1        4.383  -1.143   1.704  0.00  0.00    -0.111 NA
ATOM     31  N   LIG    1        5.549  -0.611   2.212  0.00  0.00    -0.113 NA
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5