REMARK  Name = BDB012653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.761  -1.033   0.628  0.00  0.00    -0.320 N 
ATOM      2  C   LIG    1       -0.504  -1.582   0.712  0.00  0.00    +0.115 A 
ATOM      3 BR   LIG    1       -0.066  -3.425   0.485  0.00  0.00    -0.028 Br
ATOM      4  C   LIG    1        0.346  -0.520   0.972  0.00  0.00    +0.121 A 
ATOM      5  N   LIG    1       -0.385   0.657   1.044  0.00  0.00    -0.233 NA
ATOM      6  C   LIG    1       -1.635   0.311   0.851  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.795  -0.534   1.153  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1        2.380  -1.695   1.531  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1        3.715  -1.693   1.710  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        4.516  -0.577   1.540  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.912   0.623   1.161  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.526   0.636   0.968  0.00  0.00    +0.040 A 
BRANCH  11  13
ATOM     13  C   LIG    1        4.700   1.840   0.966  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        4.168   2.982   0.493  0.00  0.00    -0.155 NA
ATOM     15  N   LIG    1        5.223   3.808   0.479  0.00  0.00    -0.196 N 
ATOM     16  H   LIG    1        5.128   4.770   0.163  0.00  0.00    +0.213 HD
ATOM     17  N   LIG    1        6.405   3.332   0.895  0.00  0.00    -0.163 NA
ATOM     18  C   LIG    1        6.077   2.076   1.208  0.00  0.00    +0.164 A 
ENDBRANCH  11  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.021  -1.736   0.435  0.00  0.00    +0.160 C 
BRANCH  19  22
ATOM     20 CL   LIG    1       -2.302  -2.106  -2.598  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.641  -1.203  -1.989  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.901  -1.095  -0.613  0.00  0.00    -0.009 A 
ATOM     23  C   LIG    1       -5.024  -0.353  -0.201  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -5.856   0.267  -1.135  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.583   0.154  -2.495  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.477  -0.581  -2.922  0.00  0.00    +0.020 A 
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 4