REMARK  Name = BDB055893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.303  -1.682  -2.456  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -0.616  -0.519  -1.624  0.00  0.00    -0.293 NA
ATOM      3  C   LIG    1       -0.927  -0.908  -0.219  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1       -0.550   0.195   0.841  0.00  0.00    +0.170 C 
ATOM      5  O   LIG    1        0.866   0.486   0.807  0.00  0.00    -0.365 OA
ATOM      6  C   LIG    1        1.471   0.492  -0.500  0.00  0.00    +0.137 C 
ATOM      7  C   LIG    1        0.454   0.496  -1.669  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.338  -1.469  -0.017  0.00  0.00    -0.027 A 
ATOM      9  C   LIG    1       -2.614  -2.240   1.128  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -3.889  -2.765   1.354  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.906  -2.528   0.434  0.00  0.00    +0.018 A 
ATOM     12 BR   LIG    1       -6.632  -3.236   0.738  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1       -4.658  -1.776  -0.709  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.381  -1.252  -0.933  0.00  0.00    +0.006 A 
ENDBRANCH   3   8
BRANCH   4  15
ATOM     15  C   LIG    1       -1.299   1.520   0.939  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -2.233   1.970  -0.002  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -2.891   3.194   0.161  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -2.616   3.988   1.270  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1       -3.505   5.642   1.487  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1       -1.687   3.572   2.217  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -1.035   2.348   2.049  0.00  0.00    +0.007 A 
ENDBRANCH   4  15
BRANCH   6  22
ATOM     22  C   LIG    1        2.469  -0.678  -0.600  0.00  0.00    +0.068 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.780  -0.393   0.101  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1        3.867  -0.443   1.499  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.074  -0.174   2.145  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.206   0.150   1.401  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.132   0.207   0.011  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.925  -0.062  -0.637  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4