REMARK  Name = BDB002830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.563   1.415  -0.892  0.00  0.00    +0.012 C 
ATOM      2  C   LIG    1       -3.108   0.128  -0.241  0.00  0.00    -0.021 C 
ATOM      3  C   LIG    1       -2.845  -1.101  -1.138  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1       -1.408  -1.561  -1.170  0.00  0.00    +0.187 C 
ATOM      5  O   LIG    1       -1.014  -2.462  -1.897  0.00  0.00    -0.290 OA
ATOM      6  C   LIG    1       -0.474  -0.896  -0.186  0.00  0.00    +0.166 C 
ATOM      7  N   LIG    1        0.753  -0.678  -0.565  0.00  0.00    -0.176 NA
ATOM      8  C   LIG    1       -1.036  -0.450   1.146  0.00  0.00    +0.187 C 
ATOM      9  O   LIG    1       -0.331  -0.447   2.149  0.00  0.00    -0.290 OA
ATOM     10  C   LIG    1       -2.500  -0.087   1.160  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -4.634   0.298  -0.086  0.00  0.00    +0.012 C 
ENDROOT
BRANCH   7  12
ATOM     12  N   LIG    1        1.578  -0.042   0.313  0.00  0.00    -0.237 N 
ATOM     13  H   LIG    1        1.401  -0.155   1.321  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.953   0.034   0.000  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        3.850   0.499   0.973  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.211   0.650   0.684  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        5.681   0.356  -0.593  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1        7.518   0.560  -0.988  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        4.804  -0.079  -1.582  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        3.445  -0.227  -1.286  0.00  0.00    +0.026 A 
ENDBRANCH  12  14
ENDBRANCH   7  12
TORSDOF 2