REMARK  Name = BDB021143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.416  -0.950   2.133  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.519  -1.118   1.086  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.283  -0.146   0.332  0.00  0.00    +0.255 C 
ATOM      4  N   LIG    1       -0.984  -0.851  -0.609  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -0.749  -2.194  -0.505  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -1.233  -3.103  -1.152  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.287   1.054   0.537  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.236  -2.368   0.559  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.830  -3.522   1.029  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.748  -3.386   2.070  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.036  -2.117   2.616  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.009  -0.298  -1.481  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.263   0.011  -0.657  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.510  -0.501   0.433  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.158   0.880  -1.241  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.990   1.082  -0.702  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -3.969   1.654  -2.358  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -4.808   2.480  -2.706  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -2.712   1.396  -3.156  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -1.571   0.942  -2.257  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.703   0.388   2.756  0.00  0.00    +0.140 C 
BRANCH  21  24
ATOM     22  C   LIG    1        3.776   2.465   0.369  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        3.500   1.475   1.468  0.00  0.00    +0.210 C 
ATOM     24  N   LIG    1        2.173   1.351   1.791  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1        1.462   1.778   1.202  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1        4.395   0.834   2.008  0.00  0.00    -0.276 OA
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 3