REMARK  Name = BDB053193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.009   2.004   1.266  0.00  0.00    -0.005 C 
ATOM      2  C   LIG    1       -1.190   2.608   1.263  0.00  0.00    +0.005 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.468   1.894   1.138  0.00  0.00    -0.022 A 
ATOM      4  C   LIG    1       -2.628   0.786   0.294  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -3.864   0.136   0.164  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -4.954   0.612   0.887  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.814   1.726   1.719  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -3.580   2.367   1.839  0.00  0.00    +0.008 A 
BRANCH   5   9
ATOM      9  O   LIG    1       -3.838  -0.925  -0.691  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -5.002  -1.687  -1.016  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -5.377  -2.615   0.151  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -4.566  -2.588  -2.189  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.223  -0.897  -1.524  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -7.380  -1.026  -1.153  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.921   0.014  -2.475  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.774   0.452  -2.678  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   1  17
ATOM     17  C   LIG    1        1.316   2.728   1.406  0.00  0.00    +0.150 C 
BRANCH  17  19
ATOM     18  C   LIG    1        3.044   1.638  -0.113  0.00  0.00    +0.182 A 
ATOM     19  N   LIG    1        2.126   2.622   0.200  0.00  0.00    -0.324 N 
ATOM     20  C   LIG    1        2.120   3.539  -0.820  0.00  0.00    +0.108 A 
ATOM     21  C   LIG    1        3.037   3.074  -1.727  0.00  0.00    +0.131 A 
ATOM     22  N   LIG    1        3.602   1.910  -1.285  0.00  0.00    -0.233 NA
BRANCH  18  23
ATOM     23  C   LIG    1        3.339   0.449   0.679  0.00  0.00    +0.228 C 
ATOM     24  O   LIG    1        2.668   0.118   1.658  0.00  0.00    -0.283 OA
BRANCH  23  29
ATOM     25  C   LIG    1        7.728  -3.141  -0.599  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        6.613  -2.199  -0.252  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        5.444  -2.676   0.352  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.393  -1.802   0.644  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        4.484  -0.441   0.318  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        5.654   0.035  -0.285  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        6.705  -0.841  -0.577  0.00  0.00    +0.004 A 
ENDBRANCH  23  29
ENDBRANCH  18  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 9