REMARK  Name = BDB034673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.381  -3.272  -3.807  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.096  -2.217  -2.880  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.108  -2.051  -2.186  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.022  -0.938  -1.356  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.998  -0.524  -0.522  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.194  -1.256  -0.526  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.315  -2.379  -1.388  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.306  -0.408  -1.546  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.268  -2.791  -2.223  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.002  -1.212  -2.477  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.156  -1.068  -2.849  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.316  -0.894   0.252  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        3.891  -1.696   0.502  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.671   0.328   0.869  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.357   0.357   2.100  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1        4.641   1.595   2.675  0.00  0.00    +0.125 A 
ATOM     17 BR   LIG    1        5.566   1.740   4.338  0.00  0.00    -0.027 Br
ATOM     18  N   LIG    1        4.292   2.777   2.113  0.00  0.00    -0.247 NA
ATOM     19  C   LIG    1        3.636   2.731   0.939  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        3.309   1.552   0.294  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.747  -0.861   2.739  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        5.058  -1.878   3.204  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -1.870   0.711  -0.831  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.480   0.280   0.506  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.986   1.452   1.365  0.00  0.00    +0.062 C 
ATOM     26  C   LIG    1       -4.089   2.254   0.671  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.492   0.922   2.711  0.00  0.00    +0.041 C 
BRANCH  25  28
ATOM     28  O   LIG    1       -1.883   2.326   1.619  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -2.196   3.036   2.208  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7