REMARK  Name = BDB014082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.088  -0.710  -0.323  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.824   0.131   0.640  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        2.303   0.266   0.221  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        3.037  -1.022   0.177  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        2.121  -2.145  -0.107  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.867  -1.792  -0.937  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.323   1.830   2.224  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.042   0.989   1.270  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.326   0.228   0.329  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -1.958   0.130   0.426  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.285  -0.594  -0.414  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -1.915  -1.252  -1.428  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.391  -1.746  -2.127  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -3.253  -1.168  -1.648  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -3.784  -1.702  -2.617  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.011  -0.390  -0.657  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.500  -0.332  -0.812  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.193   0.187   0.445  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.434   1.374   1.020  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        4.157  -0.971  -0.782  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.231   0.033  -0.424  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1        6.179  -0.210   0.571  0.00  0.00    +0.152 A 
ATOM     23 CL   LIG    1        6.270  -1.667   1.476  0.00  0.00    -0.060 Cl
ATOM     24  N   LIG    1        7.140   0.687   0.905  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        7.114   1.849   0.217  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1        6.177   2.109  -0.768  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        5.221   1.216  -1.111  0.00  0.00    -0.254 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3