REMARK  Name = BDB021563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.347   0.318   1.032  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1       -4.359   0.702  -0.311  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -3.241   0.974  -1.138  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -3.484   1.373  -2.486  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -4.763   1.517  -3.021  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -5.848   1.271  -2.211  0.00  0.00    +0.020 A 
ATOM      7 BR   LIG    1       -7.601   1.475  -2.887  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -1.761   0.889  -0.829  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1       -0.977   1.275  -1.706  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1       -1.227   0.400   0.363  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1       -2.001  -0.285   1.381  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -5.649   0.879  -0.889  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.168   0.563   1.850  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -6.232  -0.362   2.462  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -5.197  -0.817   1.443  0.00  0.00    +0.102 C 
ENDBRANCH   1  15
BRANCH  10  16
ATOM     16  C   LIG    1        0.234   0.214   0.422  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.675  -1.141  -0.156  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.405  -2.180   0.807  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        1.227  -2.233   1.338  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.177  -1.200  -0.519  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.027  -1.289   0.694  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        3.594   0.023   1.079  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        4.748   0.506   0.226  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.519  -0.396  -0.528  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.602   0.075  -1.283  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.933   1.429  -1.272  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.183   2.323  -0.512  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.145  -1.855  -0.578  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        5.098   1.864   0.237  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.142  -2.243   0.518  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 6