REMARK  Name = BDB047957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.965  -0.627   0.040  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        2.214   0.077   0.070  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        3.223  -0.887  -0.052  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        4.589  -0.568  -0.071  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        4.965   0.768   0.044  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        3.996   1.753   0.183  0.00  0.00    +0.002 A 
ATOM      7 BR   LIG    1        5.910  -1.909  -0.244  0.00  0.00    -0.048 Br
ATOM      8  N   LIG    1        2.611  -2.114  -0.132  0.00  0.00    -0.324 N 
ATOM      9  H   LIG    1        3.121  -2.981  -0.221  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        2.634   1.421   0.200  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        1.253  -1.981  -0.065  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   1  21
ATOM     12  C   LIG    1       -1.139   1.093   0.142  0.00  0.00    +0.140 A 
ATOM     13  C   LIG    1       -2.559   0.912   0.200  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -2.788  -0.463   0.202  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -4.069  -1.026   0.251  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.159  -0.152   0.296  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.971   1.227   0.288  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1       -1.560  -1.069   0.138  0.00  0.00    -0.352 N 
ATOM     19  H   LIG    1       -1.399  -2.069   0.114  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -3.682   1.771   0.238  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -0.535  -0.147   0.107  0.00  0.00    +0.082 A 
BRANCH  12  23
ATOM     22  O   LIG    1       -1.026   3.318   0.649  0.00  0.00    -0.143 OA
ATOM     23  N   LIG    1       -0.461   2.387   0.065  0.00  0.00    -0.028 NA
ENDBRANCH  12  23
ENDBRANCH   1  21
BRANCH  11  24
ATOM     24  O   LIG    1        0.442  -3.038  -0.113  0.00  0.00    -0.493 OA
ATOM     25  H   LIG    1        0.969  -3.851  -0.200  0.00  0.00    +0.294 HD
ENDBRANCH  11  24
TORSDOF 3