REMARK  Name = BDB053798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.414  -0.404   0.242  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.344   0.937  -0.139  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.120   1.518  -0.515  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.040   0.727  -0.491  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.980  -0.619  -0.111  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.249  -1.175   0.257  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.179  -1.428  -0.080  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.996  -1.671  -1.163  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -2.986  -1.273  -2.584  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -4.024  -2.474  -0.776  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -3.893  -2.784   0.564  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -2.783  -2.159   0.977  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -2.343  -2.281   2.386  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1        0.026   2.978  -0.899  0.00  0.00    +0.142 C 
ATOM     15  C   LIG    1       -0.162   3.865   0.326  0.00  0.00    +0.043 C 
BRANCH  14  16
ATOM     16  O   LIG    1        1.210   3.374  -1.588  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1        1.079   4.293  -1.876  0.00  0.00    +0.210 HD
ENDBRANCH  14  16
ENDBRANCH   3  14
BRANCH   1  18
ATOM     18  O   LIG    1        2.544  -1.074   0.623  0.00  0.00    -0.492 OA
BRANCH  18  20
ATOM     19  C   LIG    1        4.890  -1.304   0.966  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        3.777  -0.359   0.551  0.00  0.00    +0.225 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5