REMARK  Name = BDB017304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.859  -0.321   1.140  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        5.055  -0.368  -0.022  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        3.641  -0.181   0.082  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        3.071   0.058   1.355  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.685   0.251   1.490  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.828   0.208   0.383  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.374  -0.029  -0.876  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.893   0.104   2.486  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.755  -0.219  -1.019  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.270  -0.084   2.382  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        8.020  -0.626   2.119  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        7.208  -0.499   0.958  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.638   0.420   0.612  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -1.018   0.734   1.740  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.615   0.259  -0.551  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -3.017  -0.099  -0.019  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -3.984   0.027  -1.109  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -4.163   1.412  -1.554  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -2.935   2.297  -1.294  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.629   1.521  -1.434  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.234  -0.701  -0.907  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.056  -0.242   0.263  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -7.199   0.728   0.092  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -7.484  -0.715   0.392  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  25
ATOM     25  C   LIG    1        5.707  -0.602  -1.369  0.00  0.00    +0.195 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.283  -1.848  -1.911  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1        5.898  -2.058  -2.633  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7