REMARK  Name = BDB021160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.396  -0.493  -0.177  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1        1.048  -0.697  -0.433  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1       -0.131   0.137  -0.172  0.00  0.00    +0.258 C 
ATOM      4  N   LIG    1       -1.214  -0.539  -0.671  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -0.861  -1.770  -1.144  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -1.568  -2.650  -1.596  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.131   1.200   0.417  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.590  -1.868  -1.015  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        1.433  -2.902  -1.370  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.793  -2.723  -1.122  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.270  -1.531  -0.533  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.601  -0.137  -0.485  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.006  -0.386   0.972  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.462  -1.212   1.703  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.098   0.326   1.417  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.382   0.150   2.370  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.801   1.299   0.750  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.762   1.856   1.273  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.378   1.587  -0.672  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -2.897   1.308  -0.878  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  O   LIG    1        2.761   0.697   0.374  0.00  0.00    -0.480 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.101   0.836   0.824  0.00  0.00    +0.349 C 
BRANCH  22  24
ATOM     23  O   LIG    1        3.590   3.158   1.425  0.00  0.00    -0.247 OA
ATOM     24  C   LIG    1        4.358   2.210   1.439  0.00  0.00    +0.343 C 
BRANCH  24  25
ATOM     25  O   LIG    1        5.589   2.304   2.008  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        6.124   1.489   1.972  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5