REMARK  Name = BDB018563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.770  -5.592  -0.274  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.856  -4.466  -0.403  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.503  -4.707  -0.546  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        1.027  -5.816  -0.578  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.359  -3.502  -0.659  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.835  -2.262  -0.654  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -0.622  -2.081  -0.535  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.383  -3.187  -0.406  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.812  -1.158  -0.717  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.062  -0.354   0.394  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        2.938   0.678   0.408  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        3.601   0.922  -0.744  0.00  0.00    +0.215 A 
ATOM     13  C   LIG    1        3.427   0.183  -1.905  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        2.518  -0.873  -1.889  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1        4.514   1.962  -0.811  0.00  0.00    -0.473 OA
BRANCH  15  16
ATOM     16  C   LIG    1        4.688   2.679   0.426  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1        5.865   2.277   1.273  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        5.913   3.553   0.486  0.00  0.00    +0.048 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -1.231  -0.782  -0.557  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.166  -0.310   0.339  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.515   0.963  -0.057  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -1.774   1.349  -1.131  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -1.033   0.286  -1.444  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.465   1.872   0.508  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1       -4.528   1.485   1.351  0.00  0.00    +0.095 A 
ATOM     26  C   LIG    1       -5.369   2.482   1.886  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -6.692   2.106   2.942  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -5.179   3.832   1.576  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -4.157   4.209   0.716  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.310   3.238   0.183  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.856   0.113   1.615  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -5.110  -1.003   1.812  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 6