REMARK  Name = BDB004111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.496   0.880  -2.485  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.907   0.464  -1.218  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -2.754   0.073  -0.147  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -2.189  -0.362   1.049  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -2.994  -0.763   2.128  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -4.381  -0.730   2.016  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -4.955  -0.296   0.826  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1       -6.838  -0.246   0.661  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -0.726  -0.397   1.185  0.00  0.00    +0.265 A 
ATOM     10  O   LIG    1       -0.238  -0.774   2.248  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        0.023   0.025   0.095  0.00  0.00    -0.248 N 
ATOM     12  C   LIG    1       -4.155   0.103  -0.249  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -0.519   0.417  -1.126  0.00  0.00    +0.333 A 
ATOM     14  O   LIG    1        0.202   0.712  -2.083  0.00  0.00    -0.246 OA
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1        1.494  -0.067   0.206  0.00  0.00    +0.181 C 
ATOM     16  C   LIG    1        1.988  -1.221  -0.685  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1        1.234  -2.100  -1.114  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        3.338  -1.370  -0.900  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        3.491  -2.247  -1.386  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        4.325  -1.168   0.030  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        5.167  -2.042   0.230  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        4.321   0.119   0.825  0.00  0.00    +0.096 C 
ATOM     23  C   LIG    1        3.716   1.282   0.056  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        2.186   1.294   0.028  0.00  0.00    +0.035 C 
ENDBRANCH  11  15
TORSDOF 1