REMARK  Name = BDB021561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.592  -0.308   0.900  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.731   1.173  -1.029  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.500   0.395  -0.453  0.00  0.00    +0.247 C 
ATOM      4  N   LIG    1        1.996  -0.521   0.475  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        2.469  -1.892   0.598  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        3.940  -2.049   0.906  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        4.770  -1.823  -0.340  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        4.989  -0.369  -0.636  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1        6.318   0.024  -0.925  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        6.633   1.341  -1.252  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1        8.422   1.820  -1.623  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        5.634   2.297  -1.310  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.317   1.920  -1.039  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.966   0.591  -0.699  0.00  0.00    +0.040 A 
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.462  -0.879  -0.079  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.606  -0.088  -1.263  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1        0.198   0.472  -1.341  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.844  -1.066   0.600  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.300   0.059   1.444  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.722   1.235   0.655  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.080   1.113  -0.006  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -5.049   0.222   0.490  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -6.313   0.162  -0.112  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.621   0.995  -1.187  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.668   1.887  -1.673  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.706  -0.716   1.619  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -4.405   1.949  -1.084  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.405  -0.330   2.339  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5