REMARK  Name = BDB029724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.731   0.642   0.393  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.532   0.495   0.559  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -3.770   1.190   1.439  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.184   1.790   2.135  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.538   0.639   1.583  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.800   0.808   2.539  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.267  -0.218   0.367  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1       -1.460   0.578  -0.658  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.076   0.207  -0.416  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        0.940   0.776  -1.161  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.729   1.550  -2.091  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        0.032  -0.875   0.552  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.384  -1.429   0.659  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -3.682  -0.552  -0.106  0.00  0.00    +0.114 C 
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        2.340   0.418  -0.841  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        3.159  -0.065  -1.866  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.487  -0.395  -1.593  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.997  -0.228  -0.304  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.185   0.278   0.713  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.856   0.610   0.445  0.00  0.00    +0.013 A 
ENDBRANCH  10  15
TORSDOF 1