REMARK  Name = BDB006597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.744  -0.961   0.806  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.066  -0.514  -0.457  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.345  -0.848  -0.189  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.479  -1.401   1.079  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -2.732  -1.732   1.381  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -3.401  -1.356   0.268  0.00  0.00    -0.267 N 
ATOM      7  C   LIG    1       -2.603  -0.838  -0.725  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1       -0.198  -1.490   1.746  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1       -0.011  -1.940   2.865  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        5.133   0.038  -0.997  0.00  0.00    +0.152 C 
ATOM     11  N   LIG    1        4.339  -0.426   0.133  0.00  0.00    -0.315 N 
ATOM     12  C   LIG    1        4.989  -0.784   1.317  0.00  0.00    +0.270 A 
ATOM     13  O   LIG    1        6.208  -0.738   1.463  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        4.083  -1.233   2.418  0.00  0.00    +0.107 A 
ATOM     15 CL   LIG    1        4.791  -1.677   3.924  0.00  0.00    -0.078 Cl
ATOM     16  C   LIG    1        2.756  -1.278   2.232  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.132  -0.902   0.972  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        2.961  -0.493  -0.012  0.00  0.00    +0.112 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1        0.085   0.982  -0.714  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        0.092   1.449  -2.042  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.107   2.819  -2.319  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.112   3.737  -1.273  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.131   5.422  -1.616  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        0.099   3.298   0.048  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.083   1.929   0.327  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   6  26
ATOM     26  C   LIG    1       -4.860  -1.538   0.131  0.00  0.00    +0.107 C 
ATOM     27  C   LIG    1       -5.824  -1.075   1.198  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1       -5.798  -0.383  -0.133  0.00  0.00    +0.029 C 
ENDBRANCH   6  26
TORSDOF 3