REMARK  Name = BDB009537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.444  -0.841   0.864  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.112  -1.248   0.874  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.359  -2.057   1.891  0.00  0.00    +0.184 A 
ATOM      4  N   LIG    1        1.675  -2.360   1.726  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        2.052  -1.761   0.611  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -0.388  -2.506   2.912  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -1.663  -2.086   2.818  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        0.980  -1.083   0.046  0.00  0.00    -0.315 N 
ATOM      9  N   LIG    1       -2.212  -1.300   1.870  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.399  -1.879   0.045  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        4.160  -0.757  -0.303  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        5.441  -0.918  -0.835  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1        6.358   0.470  -1.273  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        5.983  -2.189  -1.013  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.242  -3.311  -0.648  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.959  -3.155  -0.116  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   1  17
ATOM     17  N   LIG    1       -1.972  -0.013  -0.123  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -1.339   0.759  -0.307  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.352  -0.577  -0.394  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -3.341   0.471   0.072  0.00  0.00    +0.072 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.486   1.724  -0.764  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -2.927   3.039  -0.273  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.415   2.832  -0.333  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  17
BRANCH   7  24
ATOM     24  C   LIG    1       -2.559  -2.564   3.930  0.00  0.00    +0.375 C 
ATOM     25  O   LIG    1       -3.743  -2.303   4.059  0.00  0.00    -0.242 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -1.870  -3.347   4.809  0.00  0.00    -0.475 OA
ATOM     27  H   LIG    1       -0.929  -3.430   4.524  0.00  0.00    +0.296 HD
ENDBRANCH  24  26
ENDBRANCH   7  24
BRANCH   8  28
ATOM     28  C   LIG    1        0.959  -0.461  -1.272  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.954   1.055  -1.255  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        1.328   1.826  -0.142  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        1.295   3.223  -0.198  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        0.895   3.864  -1.367  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        0.845   5.581  -1.429  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        0.533   3.119  -2.485  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        0.566   1.724  -2.430  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 8