REMARK  Name = BDB016897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.304  -0.745  -0.447  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.580   0.007   0.639  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        0.808  -0.323   0.290  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.922  -1.086  -0.825  0.00  0.00    +0.151 A 
ATOM      5  N   LIG    1        2.219  -1.328  -1.136  0.00  0.00    -0.209 NA
ATOM      6  C   LIG    1        2.906  -0.713  -0.185  0.00  0.00    +0.199 A 
ATOM      7  N   LIG    1        2.066  -0.063   0.712  0.00  0.00    -0.316 N 
ATOM      8  C   LIG    1        2.457   0.794   1.799  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -0.387  -1.386  -1.348  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1       -0.615  -2.062  -2.338  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -5.745   0.133   1.632  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -4.871  -0.382   0.533  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -5.564  -0.986  -0.647  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.791  -1.023  -0.685  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.728  -1.481  -1.641  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -5.316  -2.091  -2.824  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -3.345  -1.400  -1.566  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -2.698  -0.845  -0.523  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -3.528  -0.336   0.561  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -0.829   1.507   0.634  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -0.854   2.251  -0.560  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.067   3.631  -0.537  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.251   4.284   0.679  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.510   5.984   0.708  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.221   3.568   1.873  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.009   2.187   1.851  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   6  27
ATOM     27  N   LIG    1        4.260  -0.641  -0.059  0.00  0.00    -0.297 N 
ATOM     28  C   LIG    1        4.975  -0.619  -1.363  0.00  0.00    +0.136 C 
ATOM     29  C   LIG    1        6.477  -0.405  -1.124  0.00  0.00    +0.179 C 
ATOM     30  O   LIG    1        7.029  -1.431  -0.281  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        6.346  -1.460   0.981  0.00  0.00    +0.179 C 
ATOM     32  C   LIG    1        4.839  -1.703   0.803  0.00  0.00    +0.136 C 
ENDBRANCH   6  27
TORSDOF 3