REMARK  Name = BDB008506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.767  -0.531  -1.068  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        2.049  -0.168  -0.905  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.979  -0.707  -1.713  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        2.641  -1.627  -2.683  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        1.312  -1.948  -2.779  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.367  -1.414  -1.992  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.126   0.088  -0.199  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        0.390   0.727   0.388  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -4.314  -0.018   0.467  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -3.474   0.817   1.209  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -2.093   0.834   0.971  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -1.509   0.024  -0.013  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -2.361  -0.805  -0.746  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.745  -0.828  -0.512  0.00  0.00    +0.025 A 
BRANCH   9  17
ATOM     15  C   LIG    1       -8.054  -0.400   0.761  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -6.702  -0.715   0.172  0.00  0.00    +0.214 C 
ATOM     17  N   LIG    1       -5.691   0.022   0.764  0.00  0.00    -0.286 N 
ATOM     18  H   LIG    1       -5.965   0.659   1.500  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -6.585  -1.558  -0.710  0.00  0.00    -0.276 OA
ENDBRANCH   9  17
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1        4.346  -0.364  -1.582  0.00  0.00    -0.298 N 
ATOM     21  H   LIG    1        4.737  -0.129  -2.492  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.963   0.408  -0.566  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        6.115   1.169  -0.851  0.00  0.00    +0.062 A 
ATOM     24 CL   LIG    1        6.746   1.238  -2.462  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        6.772   1.897   0.146  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        6.298   1.862   1.456  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.178   1.094   1.765  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.524   0.368   0.765  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5