REMARK  Name = BDB006655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.641   1.419  -1.959  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.940   0.269  -1.342  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.591   0.146  -0.992  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.283   0.832  -0.997  0.00  0.00    +0.147 C 
ATOM      5  N   LIG    1        0.578  -0.227  -0.405  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1       -0.141  -1.401  -0.063  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.232  -2.448   0.435  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.468  -1.101  -0.458  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -2.683  -1.671  -0.475  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.615  -0.857  -1.030  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.980  -0.100  -0.258  0.00  0.00    +0.131 A 
ATOM     12  N   LIG    1        2.634  -1.129   0.319  0.00  0.00    -0.211 NA
ATOM     13  C   LIG    1        3.962  -0.958   0.436  0.00  0.00    +0.180 A 
ATOM     14  C   LIG    1        4.713   0.132   0.039  0.00  0.00    +0.132 A 
ATOM     15  N   LIG    1        6.031  -0.085   0.335  0.00  0.00    -0.128 NA
ATOM     16  N   LIG    1        6.131  -1.282   0.908  0.00  0.00    -0.063 NA
ATOM     17  C   LIG    1        4.036   1.192  -0.559  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1        4.887  -1.806   0.969  0.00  0.00    -0.230 N 
ATOM     19  C   LIG    1        4.670  -3.106   1.541  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1        2.645   1.055  -0.703  0.00  0.00    +0.046 A 
ENDBRANCH   5  11
BRANCH   4  21
ATOM     21  C   LIG    1       -0.468   2.077  -0.152  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.650   3.319  -0.791  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.828   4.487  -0.046  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.828   4.429   1.345  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -1.046   5.869   2.260  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.653   3.213   1.998  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.476   2.043   1.255  0.00  0.00    +0.007 A 
ENDBRANCH   4  21
BRANCH   9  28
ATOM     28  C   LIG    1       -2.993  -3.027   0.011  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -4.250  -3.337   0.790  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -2.918  -3.388   1.477  0.00  0.00    +0.029 C 
ENDBRANCH   9  28
TORSDOF 3