REMARK  Name = BDB000612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.069  -2.687   1.425  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -3.206  -1.870   1.201  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -3.365  -0.577   0.537  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -2.108   0.022   0.491  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.954   1.271  -0.083  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -3.092   1.898  -0.606  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.356   1.278  -0.549  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.135  -0.805   1.078  0.00  0.00    -0.248 N 
ATOM      9  C   LIG    1       -4.504   0.018   0.030  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.702  -1.969   1.561  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1       -1.184  -2.891   2.154  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.245  -0.460   1.262  0.00  0.00    +0.219 C 
BRANCH  12  13
ATOM     13  N   LIG    1        0.855  -0.386  -0.050  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1        0.580  -1.181  -0.621  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.223  -0.124  -0.161  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.857  -0.415  -1.380  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.207  -0.116  -1.591  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        4.936   0.509  -0.587  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        6.759   0.922  -0.863  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        4.323   0.845   0.615  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        2.971   0.542   0.817  0.00  0.00    +0.024 A 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 3