REMARK  Name = BDB006836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.141   0.388  -0.363  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.965   0.434   0.721  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1        2.236   0.730   0.234  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        3.415   0.802   1.002  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        4.495   1.155   0.189  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        5.777   1.289   0.704  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        5.969   1.057   2.066  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.884   0.703   2.881  0.00  0.00    +0.020 A 
ATOM      9 BR   LIG    1        5.175   0.396   4.726  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        4.064   1.386  -1.223  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        3.595   0.573   2.356  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.584   0.991  -1.173  0.00  0.00    +0.118 C 
ATOM     13  O   LIG    1        0.721   0.241   1.913  0.00  0.00    -0.274 OA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     14  C   LIG    1       -2.632   0.243  -0.620  0.00  0.00    +0.074 C 
ATOM     15  N   LIG    1       -1.416  -0.131   0.144  0.00  0.00    -0.288 NA
ATOM     16  C   LIG    1       -1.403  -1.553   0.512  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1       -2.623  -1.924   1.410  0.00  0.00    +0.065 C 
ATOM     18  C   LIG    1       -2.232  -1.912   2.891  0.00  0.00    +0.025 C 
ATOM     19  N   LIG    1       -3.791  -1.022   1.240  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -3.578  -0.176   1.776  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -3.875  -0.600  -0.169  0.00  0.00    +0.100 C 
BRANCH  14  23
ATOM     22  C   LIG    1       -2.175  -0.991  -2.873  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -2.510   0.331  -2.177  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1       -3.783   0.919  -2.803  0.00  0.00    +0.009 C 
ENDBRANCH  14  23
ENDBRANCH   1  15
TORSDOF 3