REMARK  Name = BDB050281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.993  -0.569  -1.707  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.778  -0.488  -1.010  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.071   0.623  -1.151  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.317   1.658  -2.012  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.522   1.582  -2.716  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.355   0.475  -2.565  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.326   0.694  -0.401  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1        1.518  -0.027   0.715  0.00  0.00    -0.078 NA
ATOM      9  O   LIG    1        2.786   0.280   1.164  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1        3.371   1.182   0.328  0.00  0.00    +0.168 A 
ATOM     11  C   LIG    1        2.480   1.474  -0.679  0.00  0.00    +0.081 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.726   1.607   0.665  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        5.410   2.520  -0.153  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.709   2.934   0.161  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.342   2.442   1.299  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.679   1.536   2.122  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.381   1.123   1.808  0.00  0.00    +0.011 A 
ENDBRANCH  10  12
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.908  -1.755  -1.512  0.00  0.00    +0.078 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.600  -1.782  -0.137  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.739  -0.745  -0.131  0.00  0.00    +0.334 C 
ATOM     21  O   LIG    1       -5.923  -1.000  -0.296  0.00  0.00    -0.248 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -4.320   0.525   0.099  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1       -3.351   0.628   0.182  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  O   LIG    1       -4.063  -3.124   0.049  0.00  0.00    -0.365 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -5.182  -2.938   2.228  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1       -4.080  -3.573   1.402  0.00  0.00    +0.157 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8