REMARK  Name = BDB050474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.735  -1.221   1.378  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.669  -2.565   0.969  0.00  0.00    +0.039 A 
ATOM      3 BR   LIG    1        0.881  -3.264   0.113  0.00  0.00    -0.048 Br
ATOM      4  C   LIG    1       -1.742  -3.434   1.179  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.902  -2.967   1.796  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -3.002  -1.631   2.204  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.903  -0.776   2.006  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        0.521   0.959   1.415  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        0.384  -0.387   1.141  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        1.159  -0.857   0.683  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -0.346   1.687   1.891  0.00  0.00    -0.275 OA
BRANCH   8  15
ATOM     12  C   LIG    1        4.237   1.207  -1.744  0.00  0.00    +0.403 C 
ATOM     13  N   LIG    1        3.580   1.177  -0.538  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1        2.167   1.483  -0.436  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        1.879   1.542   1.062  0.00  0.00    +0.094 C 
ATOM     16  C   LIG    1        3.065   0.825   1.717  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        4.215   1.082   0.758  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1        3.668   1.405  -2.809  0.00  0.00    -0.226 OA
BRANCH  12  19
ATOM     19  O   LIG    1        5.568   0.995  -1.593  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        6.103  -0.084  -3.749  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        6.457   1.014  -2.740  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        7.848   0.716  -2.158  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        6.489   2.402  -3.389  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -4.258  -1.115   2.882  0.00  0.00    +0.162 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.465  -1.261   2.064  0.00  0.00    -0.289 N 
ATOM     26  C   LIG    1       -5.770  -0.333   1.019  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -6.926  -0.518   0.250  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1       -7.269   0.364  -0.786  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -6.451   1.452  -1.068  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.299   1.656  -0.315  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -7.804  -1.661   0.537  0.00  0.00    +0.262 A 
ATOM     32  O   LIG    1       -8.821  -1.879  -0.111  0.00  0.00    -0.267 OA
ATOM     33  N   LIG    1       -7.416  -2.468   1.570  0.00  0.00    -0.274 N 
ATOM     34  H   LIG    1       -8.007  -3.260   1.773  0.00  0.00    +0.173 HD
ATOM     35  C   LIG    1       -4.962   0.773   0.720  0.00  0.00    +0.027 A 
ATOM     36  C   LIG    1       -6.294  -2.339   2.337  0.00  0.00    +0.330 A 
ATOM     37  O   LIG    1       -6.073  -3.176   3.212  0.00  0.00    -0.246 OA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 6