REMARK  Name = BDB034718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.192   0.526  -0.825  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.118   0.304  -0.365  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.594  -0.992  -0.356  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.836  -1.502   0.051  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.853  -2.899  -0.169  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.583  -3.230  -0.684  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.158  -4.542  -1.075  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.785  -3.659   0.040  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.820  -2.062  -0.805  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.457  -1.881  -1.284  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.954  -0.571  -1.295  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.692   1.845  -0.867  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.037   2.537  -0.518  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.212   1.927   0.000  0.00  0.00    +0.253 A 
ATOM     15  N   LIG    1        2.954   1.461  -0.172  0.00  0.00    -0.194 NA
ATOM     16  C   LIG    1        2.023   2.298  -0.682  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        2.345   3.603  -1.042  0.00  0.00    +0.076 A 
ATOM     18 BR   LIG    1        1.092   4.828  -1.747  0.00  0.00    -0.045 Br
ATOM     19  C   LIG    1        3.651   3.987  -0.856  0.00  0.00    +0.133 A 
ATOM     20  N   LIG    1        4.594   3.179  -0.342  0.00  0.00    -0.218 NA
BRANCH  14  24
ATOM     21  C   LIG    1        8.592   0.593   1.626  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        7.147   0.472   1.317  0.00  0.00    +0.061 A 
ATOM     23  N   LIG    1        6.497   1.489   0.751  0.00  0.00    -0.169 NA
ATOM     24  N   LIG    1        5.206   1.060   0.597  0.00  0.00    -0.202 N 
ATOM     25  C   LIG    1        5.057  -0.236   1.090  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        3.785  -0.998   1.099  0.00  0.00    +0.066 C 
ATOM     27  C   LIG    1        6.299  -0.624   1.548  0.00  0.00    +0.048 A 
ENDBRANCH  14  24
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -3.965  -0.729   0.506  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.810  -0.223  -0.665  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.014   0.653  -0.271  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -7.014  -0.096   0.609  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -5.587   1.959   0.404  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -6.710   1.003  -1.474  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -6.089   1.457  -2.068  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7