REMARK  Name = BDB018413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.025   4.651  -0.827  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.219   3.224  -0.621  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.482   2.677  -0.797  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.487   3.303  -1.120  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.585   1.214  -0.575  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.519   0.483  -0.201  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.210   1.132  -0.006  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.132   2.459  -0.233  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.764  -0.970  -0.066  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.253  -1.860  -1.021  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.473  -3.234  -0.892  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.206  -3.720   0.188  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -3.476  -5.412   0.346  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.723  -2.845   1.142  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.503  -1.471   1.016  0.00  0.00    +0.010 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.048   0.399   0.411  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        1.210   0.488  -0.145  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        2.040  -0.354   0.562  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1        1.335  -1.035   1.507  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        0.094  -0.553   1.430  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.442  -0.602   0.413  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        4.325   0.235  -0.296  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1        5.683  -0.129  -0.407  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        6.169  -1.293   0.186  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.308  -2.106   0.911  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.960  -1.763   1.028  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1        3.970   1.502  -0.864  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        3.699   2.531  -1.327  0.00  0.00    -0.191 NA
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4