REMARK  Name = BDB048896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.599   0.187  -0.036  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.451  -0.729  -0.618  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        2.166  -1.541  -1.144  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.742  -0.342  -0.382  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1        3.613   0.829   0.351  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1        4.668   1.548   0.795  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        5.873   1.027   0.462  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        6.077  -0.140  -0.270  0.00  0.00    +0.038 A 
ATOM      9 BR   LIG    1        7.829  -0.732  -0.651  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1        4.983  -0.875  -0.724  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1        2.300   1.142   0.552  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -2.742   0.040  -0.139  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -1.958  -1.038  -0.585  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -0.552  -1.014  -0.557  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        0.135   0.107  -0.086  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -0.626   1.193   0.352  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.029   1.160   0.317  0.00  0.00    +0.024 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.900   1.093   0.431  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1       -4.141   0.009  -0.192  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1       -4.810  -1.291  -0.220  0.00  0.00    +0.129 C 
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 2