REMARK  Name = BDB008991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.168  -1.871  -3.156  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.481  -1.735  -2.149  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1        1.757  -0.674  -1.148  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.908   0.246  -1.449  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        2.928   1.492  -0.562  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        2.623   1.134   0.887  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        1.249   0.467   1.012  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        0.992  -0.570  -0.046  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.137  -1.545   0.082  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1       -0.396  -2.473  -0.792  0.00  0.00    -0.175 NA
ATOM     11  N   LIG    1        0.417  -2.552  -1.878  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1        0.214  -3.284  -2.550  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.074  -1.468   1.278  0.00  0.00    +0.113 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.107  -0.384   1.117  0.00  0.00    +0.048 A 
ATOM     15  N   LIG    1       -2.003   0.689   1.938  0.00  0.00    -0.244 NA
ATOM     16  C   LIG    1       -2.921   1.672   1.800  0.00  0.00    +0.107 A 
ATOM     17 BR   LIG    1       -2.768   3.177   2.943  0.00  0.00    -0.029 Br
ATOM     18  C   LIG    1       -3.950   1.637   0.873  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.043   0.530   0.037  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.112  -0.496   0.158  0.00  0.00    +0.024 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2