REMARK  Name = BDB002859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.034  -1.122   2.739  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.259  -0.918   1.816  0.00  0.00    +0.224 C 
ATOM      3  N   LIG    1       -2.585  -0.718   0.510  0.00  0.00    -0.240 N 
ATOM      4  C   LIG    1       -1.532  -0.240  -0.219  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -1.611   0.194  -1.362  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -0.285  -0.202   0.666  0.00  0.00    +0.153 C 
ATOM      7  C   LIG    1       -0.772  -0.861   1.961  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        0.903  -0.895   0.104  0.00  0.00    -0.289 NA
ATOM      9  C   LIG    1        1.268  -0.404  -1.245  0.00  0.00    +0.100 C 
ATOM     10  C   LIG    1        2.590  -1.008  -1.784  0.00  0.00    +0.100 C 
ATOM     11  N   LIG    1        3.755  -0.865  -0.889  0.00  0.00    -0.296 NA
ATOM     12  C   LIG    1        3.370  -1.361   0.446  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        2.067  -0.750   1.012  0.00  0.00    +0.100 C 
BRANCH  11  14
ATOM     14  C   LIG    1        4.244   0.522  -0.873  0.00  0.00    +0.119 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.569   0.683  -0.154  0.00  0.00    -0.033 A 
ATOM     16  C   LIG    1        6.684  -0.079  -0.539  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        7.910   0.075   0.112  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        8.030   0.996   1.149  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        9.538   1.188   1.954  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        6.935   1.765   1.540  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.709   1.611   0.889  0.00  0.00    +0.006 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   8
BRANCH   3  22
ATOM     22  C   LIG    1       -3.951  -0.736   0.018  0.00  0.00    +0.121 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.645   0.616   0.209  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.062   0.591  -0.304  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -7.115   0.215   0.540  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -8.424   0.171   0.058  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.691   0.496  -1.270  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.649   0.866  -2.119  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.339   0.911  -1.639  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6