REMARK  Name = BDB063661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.316  -0.254   2.430  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -0.417  -0.190   1.233  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -1.629   0.512   1.162  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -2.099   1.162   2.303  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.372   1.115   3.495  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.169   0.415   3.559  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.293   0.525  -0.083  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -1.836   0.012  -0.825  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -3.527   1.079  -0.370  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -4.307   1.597   0.420  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -3.940   0.980  -1.799  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.017   1.123  -2.844  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -3.445   1.027  -4.171  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -4.793   0.797  -4.451  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1       -5.367   0.668  -6.247  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -5.720   0.672  -3.418  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -5.294   0.769  -2.091  0.00  0.00    +0.014 A 
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.630  -0.994   2.488  0.00  0.00    +0.264 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.701  -0.054   2.358  0.00  0.00    -0.487 OA
BRANCH  19  21
ATOM     20  C   LIG    1        4.154  -1.164   0.722  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1        3.324  -0.112   1.140  0.00  0.00    +0.133 A 
ATOM     22  C   LIG    1        3.144   1.009   0.322  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.758   1.077  -0.927  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.576   0.035  -1.356  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.780  -1.077  -0.534  0.00  0.00    +0.017 A 
BRANCH  20  29
ATOM     26  N   LIG    1        4.666  -3.536   0.961  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        4.743  -4.349   1.560  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        4.478  -3.689  -0.019  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1        4.416  -2.346   1.592  0.00  0.00    +0.245 C 
ATOM     30  O   LIG    1        4.379  -2.300   2.813  0.00  0.00    -0.270 OA
ENDBRANCH  20  29
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6