REMARK  Name = BDB003915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.325  -0.865   0.202  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.185  -0.425   0.048  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.140  -1.305   0.002  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.559  -2.178   0.310  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.000  -1.073   0.728  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.840  -1.611   1.820  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.952  -0.195   0.053  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1        0.381  -0.280   0.834  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        1.379   0.006  -0.186  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1        0.913  -0.318  -1.521  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -0.525  -0.798  -1.304  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -1.403   1.274  -0.062  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -2.725   1.499  -0.794  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -3.922   1.061   0.033  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        2.713  -0.062   0.115  0.00  0.00    +0.218 A 
ATOM     16  N   LIG    1        3.604  -0.068  -0.893  0.00  0.00    -0.222 NA
ATOM     17  C   LIG    1        4.915  -0.111  -0.570  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1        5.376  -0.148   0.720  0.00  0.00    +0.054 A 
ATOM     19 BR   LIG    1        7.204  -0.209   1.135  0.00  0.00    -0.047 Br
ATOM     20  C   LIG    1        4.402  -0.136   1.685  0.00  0.00    +0.131 A 
ATOM     21  N   LIG    1        3.081  -0.092   1.409  0.00  0.00    -0.222 NA
ENDBRANCH   9  15
TORSDOF 1