REMARK  Name = BDB003992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.368  -1.496   0.960  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.341  -0.580   0.408  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        2.366   0.824   0.313  0.00  0.00    +0.061 A 
ATOM      4 BR   LIG    1        3.772   1.923   0.884  0.00  0.00    -0.047 Br
ATOM      5  C   LIG    1        1.181   1.199  -0.277  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.646   2.530  -0.652  0.00  0.00    +0.066 C 
ATOM      7  N   LIG    1        0.506   0.018  -0.479  0.00  0.00    -0.266 N 
ATOM      8  N   LIG    1        1.202  -1.071  -0.095  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -0.809  -0.179  -1.069  0.00  0.00    +0.158 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.764  -0.976  -0.174  0.00  0.00    +0.116 C 
ATOM     11  C   LIG    1       -3.103  -1.202  -0.870  0.00  0.00    +0.021 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -2.007  -0.293   1.147  0.00  0.00    +0.309 C 
ATOM     13  O   LIG    1       -2.185  -0.851   2.218  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -2.118   1.045   1.062  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1       -2.296   1.317   1.988  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   7   9
TORSDOF 4