REMARK  Name = BDB048104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.273  -1.803  -1.896  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.942  -2.684  -1.123  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.219  -2.366  -0.813  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -2.868  -1.210  -1.240  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -2.144  -0.333  -2.050  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.827  -0.632  -2.385  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.036  -2.052  -2.256  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.636  -3.167  -1.590  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.089  -2.829  -0.167  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        5.371  -3.129  -0.911  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.539  -2.009  -0.440  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.205  -1.843  -0.131  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        2.990  -0.544   0.275  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.174   0.031   0.180  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.168  -0.811  -0.249  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        4.554   1.412   0.468  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.875   1.865   0.328  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        6.208   3.193   0.610  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.225   4.084   1.037  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.909   3.651   1.181  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.577   2.323   0.898  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.293  -0.921  -0.836  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.496   0.225   0.195  0.00  0.00    +0.169 C 
ATOM     24  O   LIG    1       -4.131   1.462  -0.436  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -4.245   2.611   0.401  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -3.365   2.488   1.634  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -3.696   1.215   2.400  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -3.641   0.010   1.464  0.00  0.00    +0.047 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -5.999   0.142   0.557  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -6.490  -0.466   1.497  0.00  0.00    -0.248 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.805   0.794  -0.308  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -7.710   0.643   0.036  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9