REMARK  Name = BDB046016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.113  -1.349  -0.411  0.00  0.00    +0.148 A 
ATOM      2  O   LIG    1        0.037  -0.516  -0.311  0.00  0.00    -0.454 OA
ATOM      3  C   LIG    1       -1.094  -1.259  -0.496  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1       -0.740  -2.576  -0.715  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.676  -2.634  -0.661  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.360  -0.532  -0.425  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -2.390   0.855  -0.201  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -3.603   1.549  -0.133  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -4.801   0.861  -0.289  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -6.295   1.709  -0.207  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -4.797  -0.514  -0.512  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -3.582  -1.205  -0.580  0.00  0.00    +0.013 A 
ENDBRANCH   3   6
BRANCH   1  14
ATOM     13  N   LIG    1        2.644   0.445  -0.021  0.00  0.00    -0.183 NA
ATOM     14  C   LIG    1        2.437  -0.811  -0.255  0.00  0.00    +0.176 C 
BRANCH  13  19
ATOM     15  N   LIG    1        5.628   2.350   0.285  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1        6.087   1.752   0.956  0.00  0.00    +0.147 HD
ATOM     17  H   LIG    1        5.840   3.332   0.421  0.00  0.00    +0.147 HD
ATOM     18  C   LIG    1        4.280   2.158   0.159  0.00  0.00    +0.317 C 
ATOM     19  N   LIG    1        3.952   0.821   0.105  0.00  0.00    -0.191 N 
ATOM     20  H   LIG    1        4.683   0.180  -0.171  0.00  0.00    +0.179 HD
ATOM     21  O   LIG    1        3.524   3.118   0.112  0.00  0.00    -0.251 OA
ENDBRANCH  13  19
ENDBRANCH   1  14
TORSDOF 3