REMARK  Name = BDB049248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.703   0.293  -2.295  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1        0.752  -0.711  -3.269  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.025  -1.864  -3.134  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.859  -2.039  -2.028  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.919  -1.040  -1.058  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.143   0.118  -1.192  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.537   1.547  -2.437  0.00  0.00    +0.070 C 
BRANCH   7  11
ATOM      8  C   LIG    1        4.573   2.018   0.617  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        4.634   0.948  -0.274  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.654   0.798  -1.262  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.594   1.710  -1.368  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        2.535   2.777  -0.465  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        3.516   2.924   0.519  0.00  0.00    +0.046 A 
BRANCH   8  14
ATOM     14  O   LIG    1        5.450   2.280   1.630  0.00  0.00    -0.478 OA
BRANCH  14  16
ATOM     15  C   LIG    1        6.569   0.350   2.532  0.00  0.00    +0.064 C 
ATOM     16  C   LIG    1        6.701   1.596   1.662  0.00  0.00    +0.278 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.758   2.523   2.279  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1        7.538   3.594   2.824  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1        9.026   2.045   2.158  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1        9.102   1.197   1.683  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  O   LIG    1       -1.565  -3.211  -2.029  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.320  -3.545  -0.857  0.00  0.00    +0.287 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.658  -2.896  -0.807  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1       -4.178  -2.406   0.373  0.00  0.00    -0.211 NA
ATOM     25  C   LIG    1       -5.353  -1.909   0.028  0.00  0.00    +0.227 A 
ATOM     26  O   LIG    1       -5.643  -2.045  -1.306  0.00  0.00    -0.443 OA
ATOM     27  C   LIG    1       -4.555  -2.674  -1.826  0.00  0.00    +0.224 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.358  -1.252   0.860  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1       -6.120  -1.088   2.233  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -7.062  -0.462   3.054  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.255   0.009   2.511  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.507  -0.145   1.149  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -7.565  -0.771   0.329  0.00  0.00    +0.013 A 
ENDBRANCH  25  28
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 10