REMARK  Name = BDB052670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.112  -0.332   0.394  0.00  0.00    -0.069 NA
ATOM      2  C   LIG    1        1.908  -0.347  -0.077  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1        1.175  -1.556  -0.428  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.077  -1.156  -0.897  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.997  -2.099  -1.313  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.631  -3.451  -1.241  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        0.637  -3.831  -0.761  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        1.087  -5.666  -0.683  0.00  0.00    -0.050 Br
ATOM      9  N   LIG    1       -0.194   0.244  -0.867  0.00  0.00    -0.261 N 
ATOM     10  C   LIG    1        1.566  -2.879  -0.346  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        0.966   0.826  -0.379  0.00  0.00    +0.273 C 
ATOM     12  O   LIG    1        1.209   2.001  -0.203  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        3.542   0.983   0.636  0.00  0.00    -0.317 OA
BRANCH  13  15
ATOM     14  C   LIG    1        5.241   2.404   1.380  0.00  0.00    +0.138 C 
ATOM     15  C   LIG    1        4.821   0.986   1.132  0.00  0.00    +0.333 C 
ATOM     16  O   LIG    1        5.537   0.016   1.350  0.00  0.00    -0.249 OA
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   9  17
ATOM     17  C   LIG    1       -1.366   0.996  -1.266  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.468   0.980  -0.227  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -3.789   0.598  -0.517  0.00  0.00    +0.046 A 
ATOM     20 CL   LIG    1       -4.285   0.107  -2.098  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -4.772   0.611   0.480  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -4.457   1.015   1.778  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -3.160   1.417   2.074  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.768   1.931   3.667  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -2.175   1.408   1.085  0.00  0.00    +0.026 A 
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 4