REMARK  Name = BDB026390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.970  -0.629  -0.514  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.771   0.261  -1.542  0.00  0.00    +0.404 C 
ATOM      3  O   LIG    1       -1.629   0.942  -2.077  0.00  0.00    -0.226 OA
ATOM      4  O   LIG    1        0.553   0.308  -1.874  0.00  0.00    -0.441 OA
ATOM      5  C   LIG    1        1.231  -0.737  -1.157  0.00  0.00    +0.226 C 
ATOM      6  C   LIG    1        0.299  -1.044   0.002  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1       -5.334   1.866  -0.568  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -4.395   1.118  -0.305  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1       -4.380  -0.175  -0.763  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -5.139  -0.421  -1.383  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -3.382  -1.109  -0.640  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1       -3.428  -2.165  -1.271  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1       -2.198  -0.747   0.264  0.00  0.00    +0.166 C 
ATOM     14  C   LIG    1       -2.501   0.426   1.194  0.00  0.00    +0.041 C 
ATOM     15  C   LIG    1       -3.206   1.578   0.501  0.00  0.00    +0.098 C 
ENDBRANCH   1  13
BRANCH   5  16
ATOM     16  C   LIG    1        2.616  -0.331  -0.706  0.00  0.00    -0.006 A 
ATOM     17  C   LIG    1        3.008   1.015  -0.634  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.287   1.362  -0.193  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        5.184   0.366   0.182  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        6.914   0.835   0.780  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        4.814  -0.975   0.120  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.535  -1.322  -0.322  0.00  0.00    +0.008 A 
ENDBRANCH   5  16
TORSDOF 2