REMARK  Name = BDB017368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.498   0.468  -0.687  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -4.330   0.272  -0.370  0.00  0.00    +0.261 A 
ATOM      3  C   LIG    1       -3.282   1.247  -0.586  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -1.995   0.958  -0.209  0.00  0.00    +0.152 A 
ATOM      5  O   LIG    1       -1.151   1.984  -0.474  0.00  0.00    -0.462 OA
ATOM      6  C   LIG    1       -1.923   2.954  -1.047  0.00  0.00    +0.196 A 
ATOM      7  C   LIG    1       -1.561  -0.273   0.408  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1       -2.596  -1.206   0.617  0.00  0.00    +0.146 A 
ATOM      9  N   LIG    1       -2.412  -2.411   1.185  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -1.152  -2.703   1.569  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -0.067  -1.851   1.398  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -0.256  -0.605   0.794  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.240   2.548  -1.137  0.00  0.00    +0.055 A 
ATOM     14  N   LIG    1       -3.917  -0.904   0.226  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.611  -1.616   0.402  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  12  16
ATOM     16  N   LIG    1        0.818   0.288   0.590  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1        0.507   1.218   0.305  0.00  0.00    +0.152 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.176   0.068   0.291  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.085   1.112   0.525  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.452   0.947   0.285  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        4.926  -0.272  -0.190  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        6.607  -0.481  -0.488  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        4.044  -1.321  -0.425  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        2.676  -1.151  -0.181  0.00  0.00    +0.024 A 
ENDBRANCH  16  18
ENDBRANCH  12  16
TORSDOF 2