REMARK  Name = BDB029537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        7.025   0.756   0.878  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.860   0.523   0.607  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        5.384  -0.652   0.127  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        6.003  -1.387  -0.180  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        4.101  -0.544  -0.299  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1        3.550  -1.309  -1.072  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        3.480   0.675   0.360  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        2.527   1.397  -0.602  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1        1.143   0.750  -0.649  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1        0.559   0.545   0.674  0.00  0.00    -0.301 N 
ATOM     11  C   LIG    1       -0.753   0.119   0.894  0.00  0.00    +0.223 C 
ATOM     12  O   LIG    1       -1.220   0.063   2.035  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        1.399   0.850   1.828  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.782   0.223   1.666  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1        4.736   1.519   0.652  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1       -1.574  -0.348  -0.323  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1       -3.049   0.038  -0.255  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -4.061  -0.866  -0.635  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -5.405  -0.462  -0.594  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.748   0.835  -0.216  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.752   1.741   0.129  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.746  -2.285  -1.037  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -2.300  -2.465  -1.487  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.413   1.349   0.104  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -1.353  -1.865  -0.459  0.00  0.00    +0.018 C 
ENDBRANCH  11  16
TORSDOF 1