REMARK  Name = BDB053285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953  -1.173  -1.923  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.517  -0.507   0.816  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -2.535  -0.336  -0.165  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.013  -1.432  -0.879  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.467  -2.728  -0.582  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -3.443  -2.901   0.404  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.964  -1.801   1.095  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -1.889  -3.748  -1.292  0.00  0.00    -0.495 OA
ATOM      9  C   LIG    1       -2.374  -5.064  -1.059  0.00  0.00    +0.277 C 
ENDBRANCH   5   8
BRANCH   2  10
ATOM     10  C   LIG    1       -4.068   0.678   1.574  0.00  0.00    +0.049 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.806   1.701   0.688  0.00  0.00    +0.102 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.122   0.573   0.884  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.051   1.153  -0.031  0.00  0.00    +0.011 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -5.175   2.917   1.521  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -5.346   2.909   2.731  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.320   4.043   0.784  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -5.150   3.921  -0.169  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  N   LIG    1        0.335  -0.958  -1.300  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        0.807  -1.775  -0.944  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        0.857   0.301  -1.114  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        0.337   1.325  -1.545  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.138   0.379  -0.359  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.457  -0.533   0.656  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        3.669  -0.416   1.342  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.564   0.603   1.013  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1        4.234   1.537   0.029  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        3.023   1.423  -0.658  0.00  0.00    +0.016 A 
BRANCH  25  28
ATOM     28  O   LIG    1        5.721   0.675   1.756  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.891   0.934   1.081  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        7.728   1.917   1.612  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        8.944   2.203   0.992  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        9.329   1.496  -0.147  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.502   0.497  -0.664  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.285   0.209  -0.046  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 11