REMARK  Name = BDB012978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.530  -0.915   0.081  0.00  0.00    +0.126 C 
ATOM      2  C   LIG    1        1.863   0.095  -0.851  0.00  0.00    +0.135 C 
ATOM      3  N   LIG    1        0.480   0.170  -0.385  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.538   0.476  -1.278  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.298   0.681  -2.466  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.338  -0.481   0.912  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        1.764  -0.721   1.391  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.748   1.223   1.111  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1        5.814   0.174   0.637  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        6.109  -1.094   0.099  0.00  0.00    +0.058 A 
ATOM     11 BR   LIG    1        7.809  -1.820  -0.171  0.00  0.00    -0.047 Br
ATOM     12  C   LIG    1        4.903  -1.678  -0.184  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1        3.961  -0.761   0.185  0.00  0.00    -0.266 N 
ATOM     14  N   LIG    1        4.488   0.373   0.690  0.00  0.00    -0.175 NA
ENDBRANCH   1  13
BRANCH   4  15
ATOM     15  C   LIG    1       -1.883   0.517  -0.766  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -2.284   1.161   0.369  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -1.715   1.709   1.004  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -3.593   1.036   0.638  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -4.078   0.372  -0.419  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -3.049   0.042  -1.332  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.543   0.063  -0.542  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -6.029  -0.846   0.590  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -6.389   1.336  -0.612  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 3