REMARK  Name = BDB049632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.297   0.116   0.113  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.322   0.997  -0.278  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.590   0.579   0.069  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.689  -0.412   0.229  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.079   2.034  -0.890  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.796   1.297  -0.052  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -4.863   2.666  -0.318  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -6.101   3.312  -0.408  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -7.276   2.588  -0.225  0.00  0.00    +0.018 A 
ATOM     10 BR   LIG    1       -8.948   3.462  -0.345  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -7.226   1.225   0.051  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -5.987   0.583   0.140  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.970   0.626   0.122  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        2.405  -0.219  -0.939  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        1.003  -0.699  -0.557  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.082   0.494  -0.269  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.723   1.431   0.762  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.139   1.821   0.341  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.400   0.973  -0.067  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        4.738   1.538  -1.451  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        5.274  -0.251   0.310  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.534  -0.347  -0.874  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.779   0.038   0.390  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.472  -0.822   1.231  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.107  -2.147   0.861  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.662  -2.937   1.881  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.255  -4.167   1.590  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.295  -4.628   0.277  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.739  -3.862  -0.745  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.144  -2.632  -0.455  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7