REMARK  Name = BDB008962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.587   1.939  -3.239  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.750   1.194  -2.741  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1        1.923   0.617  -1.384  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        3.168   1.019  -0.641  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        3.123   0.655   0.844  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        2.555  -0.744   1.047  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        1.137  -0.850   0.475  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        0.993  -0.212  -0.879  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.205  -0.480  -1.736  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -0.371   0.021  -2.924  0.00  0.00    -0.175 NA
ATOM     11  N   LIG    1        0.606   0.837  -3.401  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1        0.468   1.222  -4.329  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.324  -1.377  -1.215  0.00  0.00    +0.092 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.172  -0.731  -0.144  0.00  0.00    -0.040 A 
ATOM     15  C   LIG    1       -2.730   0.543  -0.338  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -3.522   1.121   0.654  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1       -4.254   2.843   0.384  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1       -3.780   0.440   1.841  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -3.246  -0.833   2.035  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.452  -1.418   1.047  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2