REMARK  Name = BDB003796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.492   0.086  -0.090  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.694   0.663   0.166  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.817  -0.033  -0.090  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.771  -1.292  -0.639  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.521  -1.807  -0.873  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.614  -1.146  -0.599  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.601   0.868   0.224  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -1.279   1.753   0.587  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -5.792   0.464  -0.090  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -4.970  -0.544  -0.598  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.577  -0.422  -0.501  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.982   0.702   0.083  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -3.831   1.711   0.571  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.222   1.602   0.481  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -7.983   1.323  -0.424  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -7.267   0.372  -0.167  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -7.734  -0.860   0.126  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.062  -1.473   0.478  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        3.010   0.633   0.188  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        2.812   1.592   0.463  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.307   0.218   0.545  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.387   1.121   0.445  0.00  0.00    +0.039 A 
ATOM     23 BR   LIG    1        5.111   2.923  -0.104  0.00  0.00    -0.048 Br
ATOM     24  C   LIG    1        6.696   0.731   0.746  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        6.955  -0.575   1.153  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.906  -1.483   1.263  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.597  -1.089   0.959  0.00  0.00    +0.024 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6