REMARK  Name = BDB009205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.627  -0.676  -0.895  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.521  -1.530  -0.786  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.320  -1.759  -1.885  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.013  -1.145  -3.107  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.101  -0.311  -3.227  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.924  -0.077  -2.125  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.025   0.807   0.421  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        2.725   1.496  -0.256  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.475  -0.459   0.313  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.583  -1.377   1.117  0.00  0.00    -0.270 OA
BRANCH   7  16
ATOM     11  C   LIG    1        6.558   2.921   4.427  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        5.633   2.381   3.374  0.00  0.00    -0.036 A 
ATOM     13  C   LIG    1        5.112   3.176   2.345  0.00  0.00    +0.023 A 
ATOM     14 BR   LIG    1        5.537   5.023   2.192  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        4.252   2.631   1.383  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        3.891   1.280   1.430  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        4.409   0.483   2.449  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        5.269   1.028   3.411  0.00  0.00    +0.006 A 
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.504  -2.692  -1.761  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.825  -2.058  -2.187  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.623  -1.270  -1.195  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.130  -1.072   0.211  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.908  -0.004   0.987  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.406  -0.127   0.744  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.732   0.013  -0.745  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.790  -0.761  -1.625  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.216  -0.961  -3.033  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.264  -0.491  -3.465  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.369  -1.696  -3.816  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -4.645  -1.850  -4.780  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.192  -2.250  -3.420  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4