REMARK  Name = BDB006805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.728   0.061  -0.780  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        2.198   0.093  -1.674  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.464   0.247   0.372  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        1.966   0.473   1.469  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.945   0.196   0.225  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        4.730   0.925   1.129  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        6.123   0.903   1.030  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        6.732   0.143   0.034  0.00  0.00    +0.018 A 
ATOM      9 BR   LIG    1        8.617   0.110  -0.101  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        5.962  -0.600  -0.862  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        4.567  -0.578  -0.764  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1        0.281   0.183  -0.782  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.395  -1.050  -0.182  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.919  -1.029  -0.335  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -2.499   0.131   0.337  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1       -2.142   0.182   1.293  0.00  0.00    +0.122 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -4.317   1.575   0.977  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -3.971   0.207   0.358  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -4.577   0.146  -1.053  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -4.581  -0.895   1.240  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6