REMARK  Name = BDB002158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.730  -0.333   1.939  0.00  0.00    +0.155 C 
ATOM      2  N   LIG    1       -4.033  -0.212   0.673  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -2.746   0.280   0.625  0.00  0.00    +0.169 A 
ATOM      4  N   LIG    1       -2.013   0.702   1.687  0.00  0.00    -0.203 NA
ATOM      5  C   LIG    1       -0.874   1.114   1.164  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -0.835   0.906  -0.198  0.00  0.00    -0.313 N 
ATOM      7 BR   LIG    1        0.477   1.925   2.248  0.00  0.00    -0.008 Br
ATOM      8  C   LIG    1       -2.066   0.416  -0.551  0.00  0.00    +0.152 A 
ATOM      9  C   LIG    1       -2.648   0.086  -1.806  0.00  0.00    +0.280 A 
ATOM     10  O   LIG    1       -2.106   0.226  -2.897  0.00  0.00    -0.265 OA
ATOM     11  N   LIG    1       -3.924  -0.415  -1.681  0.00  0.00    -0.273 N 
ATOM     12  H   LIG    1       -4.399  -0.665  -2.535  0.00  0.00    +0.173 HD
ATOM     13  C   LIG    1       -4.655  -0.572  -0.517  0.00  0.00    +0.331 A 
ATOM     14  O   LIG    1       -5.802  -1.012  -0.592  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  15
ATOM     15  C   LIG    1        0.256   1.207  -1.105  0.00  0.00    +0.125 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.940  -0.027  -1.707  0.00  0.00    +0.026 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.721  -0.889  -0.706  0.00  0.00    +0.037 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.909  -0.228  -0.051  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        3.132  -0.410   1.322  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.233   0.173   1.951  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.138   0.930   1.212  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.947   1.095  -0.157  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.844   0.513  -0.787  0.00  0.00    +0.003 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 4