REMARK  Name = BDB048858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.911  -0.003   0.426  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1  11
ATOM      2  O   LIG    1        5.403  -1.197  -2.502  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1        5.075  -0.885  -1.363  0.00  0.00    +0.259 A 
ATOM      4  C   LIG    1        6.057  -0.751  -0.273  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1        5.581  -0.377   0.991  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1        6.519  -0.254   2.029  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        7.881  -0.495   1.803  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        8.329  -0.865   0.534  0.00  0.00    +0.002 A 
ATOM      9 CL   LIG    1        6.035   0.200   3.626  0.00  0.00    -0.081 Cl
ATOM     10  N   LIG    1        4.209  -0.129   1.219  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1        3.385  -0.267   0.235  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        7.415  -0.995  -0.508  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        3.772  -0.634  -1.023  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        3.097  -0.717  -1.771  0.00  0.00    +0.170 HD
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   LIG    1        1.524   1.326  -0.211  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.153   1.874   0.203  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -0.988   1.084  -0.291  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       -2.162   1.940  -0.505  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -3.289   1.171  -1.199  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -3.529  -0.222  -0.592  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -2.793  -0.368   0.744  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -1.298  -0.070   0.573  0.00  0.00    +0.085 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.004  -0.558  -0.468  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1       -5.543  -1.625  -1.202  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.896  -1.951  -1.096  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.730  -1.214  -0.259  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.211  -0.151   0.475  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.857   0.175   0.372  0.00  0.00    +0.004 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5