REMARK  Name = BDB053794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.693  -0.224  -0.312  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.621   0.196  -0.067  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.686  -0.261  -0.863  0.00  0.00    -0.019 A 
ATOM      4  C   LIG    1       -1.412  -1.146  -1.914  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -0.104  -1.564  -2.166  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.945  -1.104  -1.369  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        1.627   2.869   0.343  0.00  0.00    +0.070 C 
ATOM      8  C   LIG    1        2.193   1.586   0.821  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1        1.776   0.263   0.515  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        2.644  -0.533   1.231  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1        2.805  -1.987   1.424  0.00  0.00    +0.090 C 
ATOM     12  O   LIG    1        3.525   0.257   1.902  0.00  0.00    -0.359 OA
ATOM     13  N   LIG    1        3.244   1.586   1.651  0.00  0.00    -0.083 NA
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1       -3.105   0.191  -0.594  0.00  0.00    +0.141 C 
ATOM     15  C   LIG    1       -3.650  -0.338   0.726  0.00  0.00    +0.043 C 
BRANCH  14  16
ATOM     16  O   LIG    1       -3.161   1.616  -0.578  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -2.551   1.933  -1.266  0.00  0.00    +0.210 HD
ENDBRANCH  14  16
ENDBRANCH   3  14
TORSDOF 3