REMARK  Name = BDB050460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.563  -0.194  -0.687  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -1.724  -0.080  -2.076  0.00  0.00    +0.127 A 
ATOM      3 BR   LIG    1       -3.093   1.042  -2.793  0.00  0.00    -0.027 Br
ATOM      4  N   LIG    1       -0.960  -0.724  -2.987  0.00  0.00    -0.246 NA
ATOM      5  C   LIG    1        0.022  -1.519  -2.509  0.00  0.00    +0.117 A 
ATOM      6  C   LIG    1        0.283  -1.706  -1.157  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -0.544  -1.037  -0.243  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -1.541   0.017   2.274  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.364   0.592   1.565  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1       -2.417   0.526   0.187  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1       -3.124   1.083  -0.281  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1       -3.446   1.456   2.200  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1       -4.846   0.900   1.958  0.00  0.00    +0.093 C 
ATOM     14  N   LIG    1       -5.675   2.086   1.756  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1       -6.534   1.861   1.255  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -4.848   3.026   1.009  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -3.486   2.892   1.669  0.00  0.00    +0.029 C 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1        1.399  -2.610  -0.691  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.732  -2.121  -1.049  0.00  0.00    -0.289 N 
ATOM     20  C   LIG    1        3.399  -1.127  -0.267  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        4.651  -0.652  -0.678  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.341   0.330   0.048  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        4.782   0.852   1.209  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.544   0.390   1.641  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.260  -1.200  -1.899  0.00  0.00    +0.262 A 
ATOM     26  O   LIG    1        6.341  -0.805  -2.320  0.00  0.00    -0.267 OA
ATOM     27  N   LIG    1        4.548  -2.175  -2.536  0.00  0.00    -0.274 N 
ATOM     28  H   LIG    1        4.949  -2.547  -3.383  0.00  0.00    +0.173 HD
ATOM     29  C   LIG    1        2.859  -0.591   0.911  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        3.311  -2.640  -2.199  0.00  0.00    +0.330 A 
ATOM     31  O   LIG    1        2.768  -3.476  -2.920  0.00  0.00    -0.246 OA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4