REMARK  Name = BDB016142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.962   1.135  -1.088  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.985   0.457  -0.348  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -1.595  -0.652   0.411  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.726  -1.057   0.068  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.507  -1.660   0.918  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.461  -1.063   1.922  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.611  -0.350   1.293  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.425   0.566   0.313  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.303   1.015   0.082  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.761  -0.539   1.702  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.139  -2.486  -0.199  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.285   1.012  -0.385  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.545   2.128  -1.211  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.544   2.740  -1.959  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -1.252   2.250  -1.889  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        1.227   0.839  -0.000  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1        0.450   0.707  -1.087  0.00  0.00    +0.010 C 
BRANCH  16  22
ATOM     18  C   LIG    1        6.782  -0.738   0.431  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.338  -0.357   0.298  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        4.476  -0.446   1.396  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.138  -0.060   1.280  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.634   0.422   0.066  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1        3.507   0.540  -1.022  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        4.846   0.154  -0.908  0.00  0.00    +0.004 A 
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 2