REMARK  Name = BDB017201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.327  -0.312  -0.180  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1        1.054  -0.611   0.435  0.00  0.00    +0.095 C 
ATOM      3  N   LIG    1        2.081  -0.440  -0.601  0.00  0.00    -0.301 NA
ATOM      4  C   LIG    1        1.980  -1.518  -1.602  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1        0.549  -2.031  -1.821  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -0.493  -0.947  -1.573  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.260  -1.691   1.567  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -1.434  -0.776   0.763  0.00  0.00    +0.167 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.779  -0.117   0.712  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -3.124   0.832  -0.257  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -4.398   1.405  -0.245  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -4.816   2.571  -1.441  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -5.336   1.044   0.720  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.001   0.098   1.685  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.729  -0.480   1.680  0.00  0.00    +0.011 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1        3.436  -0.359  -0.046  0.00  0.00    +0.088 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.891   1.048   0.237  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1        2.980   2.252   0.341  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        3.617   1.688   1.578  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4