REMARK  Name = BDB057889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.896   0.831   0.051  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -0.674   1.656   1.127  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1        0.591   2.054   1.089  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        1.163   1.476   0.015  0.00  0.00    -0.247 N 
ATOM      5  C   LIG    1        0.269   0.715  -0.675  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.458  -0.262   0.242  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.261   0.370   0.581  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.166   0.197  -0.253  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1       -2.217  -0.560  -1.381  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -3.388  -1.159  -1.681  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -4.528  -1.044  -0.910  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.647   0.587   2.152  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.625  -0.077   1.133  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.716  -0.734   0.702  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.396  -0.524   1.377  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        2.549   1.749  -0.319  0.00  0.00    +0.180 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.440   0.574  -0.005  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1        3.721   0.231   1.327  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.543  -0.858   1.619  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.093  -1.615   0.587  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.822  -1.284  -0.739  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.999  -0.196  -1.036  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5