REMARK  Name = BDB053292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.542  -2.019  -1.292  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.908  -1.874   0.484  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1        2.561  -2.118   0.193  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.011  -1.777  -1.057  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.826  -1.169  -2.028  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1        4.175  -0.938  -1.743  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.710  -1.290  -0.500  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1        2.208  -0.829  -3.202  0.00  0.00    -0.495 OA
ATOM      9  C   LIG    1        3.017  -0.277  -4.233  0.00  0.00    +0.277 C 
ENDBRANCH   5   8
BRANCH   2  10
ATOM     10  C   LIG    1        4.478  -2.221   1.840  0.00  0.00    +0.049 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.397  -1.110   2.903  0.00  0.00    +0.102 C 
BRANCH  11  13
ATOM     12  C   LIG    1        2.844   0.094   4.528  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        2.950  -0.699   3.230  0.00  0.00    +0.011 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1        5.242   0.079   2.495  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1        4.861   1.198   2.197  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.562  -0.201   2.509  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        6.981   0.650   2.260  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       -0.232  -0.878  -0.857  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        0.159   0.029  -1.072  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -1.591  -0.981  -0.667  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -2.209  -2.037  -0.747  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.310   0.291  -0.381  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -3.663   0.387  -0.736  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -4.399   1.558  -0.490  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -3.739   2.631   0.134  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.394   2.538   0.504  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -1.679   1.369   0.251  0.00  0.00    +0.013 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.819   1.657  -0.869  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -6.741   0.666  -0.491  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -8.089   0.758  -0.850  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.539   1.845  -1.594  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.644   2.839  -1.980  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.296   2.745  -1.620  0.00  0.00    +0.008 A 
ENDBRANCH  24  28
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 10