REMARK  Name = BDB006615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.099  -0.849   1.198  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.995  -1.507   0.464  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.650  -1.133   0.378  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.657  -0.140   0.830  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.594  -0.660   0.174  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.323  -1.832  -0.599  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        1.080  -2.517  -1.265  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.063  -2.065  -0.421  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1       -2.012  -2.940  -0.797  0.00  0.00    -0.262 N 
ATOM     10  C   LIG    1       -1.883  -4.099  -1.642  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1       -3.221  -2.623  -0.259  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.853  -0.081   0.353  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.961  -0.499  -0.293  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        4.208   0.086  -0.116  0.00  0.00    -0.315 N 
ATOM     15  C   LIG    1        5.330  -0.448  -0.876  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.420   1.163   0.746  0.00  0.00    +0.270 A 
ATOM     17  O   LIG    1        5.511   1.702   0.913  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        3.201   1.629   1.476  0.00  0.00    +0.107 A 
ATOM     19 CL   LIG    1        3.360   2.942   2.581  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        2.017   1.032   1.279  0.00  0.00    +0.050 A 
ENDBRANCH   5  12
BRANCH   4  21
ATOM     21  C   LIG    1       -1.149   1.201   0.321  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -1.011   1.598  -1.022  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.480   2.841  -1.453  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.095   3.702  -0.549  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -2.673   5.232  -1.080  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -2.247   3.330   0.784  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.778   2.086   1.217  0.00  0.00    +0.007 A 
ENDBRANCH   4  21
TORSDOF 2