REMARK  Name = BDB053796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.463  -0.281  -0.341  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.156  -0.749  -0.509  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.945   0.051  -0.178  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1       -0.730   1.339   0.321  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.577   1.815   0.490  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1        1.671   1.003   0.160  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.294  -0.441  -0.358  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.798  -1.593   0.207  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -2.257  -2.643   1.091  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -4.099  -1.739  -0.162  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -4.477  -0.682  -0.966  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -3.393   0.094  -1.083  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -3.452   1.329  -1.899  0.00  0.00    +0.070 C 
ENDBRANCH   3   7
BRANCH   5  14
ATOM     14  C   LIG    1        0.852   3.173   1.018  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1        1.954   3.648   1.216  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -0.268   3.873   1.268  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        0.059   4.733   1.607  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   5  14
BRANCH   1  18
ATOM     18  O   LIG    1        2.436  -1.171  -0.703  0.00  0.00    -0.492 OA
BRANCH  18  20
ATOM     19  C   LIG    1        4.686  -1.887  -1.025  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        3.792  -0.749  -0.564  0.00  0.00    +0.225 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5