REMARK  Name = BDB006949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.292  -0.482   1.512  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.622   0.662  -1.274  0.00  0.00    +0.013 C 
ATOM      3  C   LIG    1       -3.640   1.131   0.171  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1       -2.424   0.865   0.823  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.252   1.236   2.148  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -3.319   1.834   2.825  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -4.544   2.058   2.193  0.00  0.00    +0.020 A 
ATOM      8 CL   LIG    1       -3.126   2.296   4.474  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -1.536   0.230  -0.065  0.00  0.00    -0.269 N 
ATOM     10  C   LIG    1       -0.269  -0.311   0.094  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1        0.372  -0.663  -0.905  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1       -4.710   1.701   0.856  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.131   0.242  -1.406  0.00  0.00    +0.125 C 
BRANCH   2  15
ATOM     14  C   LIG    1       -5.309   2.273  -2.500  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -3.874   1.804  -2.300  0.00  0.00    +0.010 C 
ENDBRANCH   2  15
BRANCH   2  16
ATOM     16  C   LIG    1       -4.584  -0.534  -1.497  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -4.334  -1.771  -0.635  0.00  0.00    +0.005 C 
ENDBRANCH   2  16
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  N   LIG    1        1.449  -1.396   1.656  0.00  0.00    -0.280 NA
ATOM     19  C   LIG    1        2.679  -1.016   0.911  0.00  0.00    +0.158 C 
ATOM     20  C   LIG    1        3.881  -1.913   1.329  0.00  0.00    +0.109 C 
ATOM     21  N   LIG    1        3.525  -3.203   1.967  0.00  0.00    -0.310 NA
ATOM     22  H   LIG    1        3.260  -2.962   2.927  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        2.310  -3.781   1.354  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1        2.600  -4.296  -0.059  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        1.092  -2.803   1.382  0.00  0.00    +0.104 C 
BRANCH  19  26
ATOM     26  C   LIG    1        3.104   0.453   1.153  0.00  0.00    +0.234 C 
ATOM     27  N   LIG    1        3.704   1.141   0.106  0.00  0.00    -0.296 N 
ATOM     28  C   LIG    1        4.267   2.471   0.351  0.00  0.00    +0.136 C 
ATOM     29  C   LIG    1        5.536   2.680  -0.481  0.00  0.00    +0.179 C 
ATOM     30  O   LIG    1        5.351   2.512  -1.894  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        4.165   1.793  -2.247  0.00  0.00    +0.179 C 
ATOM     32  C   LIG    1        3.832   0.657  -1.273  0.00  0.00    +0.136 C 
ATOM     33  O   LIG    1        2.967   0.989   2.258  0.00  0.00    -0.274 OA
ENDBRANCH  19  26
ENDBRANCH   1  18
TORSDOF 5