REMARK  Name = BDB048765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.677  -0.941  -1.448  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.284  -1.490  -2.499  0.00  0.00    +0.100 C 
BRANCH   2   7
ATOM      3  C   LIG    1        3.526  -0.464  -1.478  0.00  0.00    +0.228 A 
ATOM      4  O   LIG    1        3.566   0.149  -2.704  0.00  0.00    -0.440 OA
ATOM      5  C   LIG    1        2.358  -0.141  -3.271  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        2.103   0.387  -4.621  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        1.644  -0.910  -2.376  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1        2.396  -1.105  -1.239  0.00  0.00    -0.214 NA
BRANCH   3  12
ATOM      9  C   LIG    1        6.963  -0.089   1.058  0.00  0.00    -0.048 A 
ATOM     10  C   LIG    1        6.945   0.529  -0.197  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.829   0.411  -1.032  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        4.705  -0.324  -0.629  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.727  -0.935   0.633  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.841  -0.819   1.469  0.00  0.00    +0.004 A 
BRANCH   9  16
ATOM     15  C   LIG    1        8.040   1.269   2.871  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        8.158   0.052   1.966  0.00  0.00    +0.032 C 
ENDBRANCH   9  16
ENDBRANCH   3  12
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -1.980  -1.463  -1.723  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.986  -1.099  -0.869  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -2.857  -0.252   0.235  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.982   0.012   1.003  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -4.081   0.899   2.204  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -5.416   0.437   2.807  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -6.293  -0.070   1.638  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1       -5.228  -0.536   0.681  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -5.371  -1.375  -0.410  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.240  -1.655  -1.181  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.154   1.028   1.006  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -8.327   1.401   1.879  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1       -8.611   0.882   2.946  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -9.066   2.402   1.344  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -8.733   2.722   0.484  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9