REMARK  Name = BDB048504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.045  -0.000   0.451  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.148  -2.383   0.184  0.00  0.00    -0.292 OA
ATOM      3  C   LIG    1        0.703  -1.284   0.199  0.00  0.00    +0.164 C 
BRANCH   3   4
ATOM      4  C   LIG    1        2.180  -1.255   0.004  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        2.949  -0.164   0.135  0.00  0.00    +0.011 C 
BRANCH   5   6
ATOM      6  C   LIG    1        4.408  -0.182  -0.054  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        5.209   0.599   0.789  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        6.597   0.628   0.621  0.00  0.00    +0.060 A 
ATOM      9 BR   LIG    1        7.627   1.695   1.803  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1        7.193  -0.115  -0.399  0.00  0.00    +0.131 A 
ATOM     11  C   LIG    1        6.406  -0.883  -1.254  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        5.018  -0.911  -1.084  0.00  0.00    +0.011 A 
BRANCH  10  13
ATOM     13  O   LIG    1        8.549  -0.087  -0.565  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1        8.796  -0.656  -1.313  0.00  0.00    +0.292 HD
ENDBRANCH  10  13
ENDBRANCH   5   6
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -1.538  -0.095   0.245  0.00  0.00    +0.164 C 
ATOM     16  O   LIG    1       -2.076   0.506  -0.681  0.00  0.00    -0.292 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.317  -0.898   1.238  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -3.647  -0.891   1.420  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.649  -0.080   0.723  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -5.668  -0.720   0.008  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -6.656   0.032  -0.633  0.00  0.00    +0.060 A 
ATOM     22 BR   LIG    1       -8.011  -0.886  -1.593  0.00  0.00    -0.047 Br
ATOM     23  C   LIG    1       -6.633   1.427  -0.559  0.00  0.00    +0.131 A 
ATOM     24  C   LIG    1       -5.627   2.072   0.160  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -4.642   1.318   0.805  0.00  0.00    +0.011 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -7.597   2.165  -1.187  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1       -7.382   3.107  -1.100  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  18  19
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 8