REMARK  Name = BDB053270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.293  -1.576   1.488  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1        1.340  -0.890   0.816  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        1.635   0.166   1.660  0.00  0.00    +0.171 A 
ATOM      4  C   LIG    1        2.607   1.129   1.407  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1        3.336   0.971   0.224  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.049  -0.059  -0.674  0.00  0.00    +0.046 A 
ATOM      7  O   LIG    1        0.835   0.106   2.757  0.00  0.00    -0.354 OA
ATOM      8  C   LIG    1        2.056  -1.010  -0.387  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1        0.001  -0.995   2.662  0.00  0.00    -0.082 NA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -0.451  -2.800   1.073  0.00  0.00    +0.066 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.211  -2.672  -0.248  0.00  0.00    +0.065 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.419  -1.414   0.299  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -2.176  -1.543  -0.284  0.00  0.00    +0.083 A 
ATOM     14  N   LIG    1       -1.879  -0.399  -0.989  0.00  0.00    -0.214 NA
ATOM     15  C   LIG    1       -2.921   0.387  -0.794  0.00  0.00    +0.228 A 
ATOM     16  O   LIG    1       -3.906  -0.178  -0.025  0.00  0.00    -0.440 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.157   1.744  -1.280  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -2.159   2.396  -2.020  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -2.354   3.695  -2.497  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.551   4.358  -2.240  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.553   3.725  -1.506  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.357   2.426  -1.029  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
BRANCH  12  23
ATOM     23  C   LIG    1       -4.276  -2.272   1.149  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.168  -3.936   1.177  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.292  -3.045   0.310  0.00  0.00    +0.004 C 
ENDBRANCH  23  25
ENDBRANCH  12  23
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   5  26
ATOM     26  O   LIG    1        4.275   1.924  -0.063  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.655   1.539   0.100  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1        6.413   2.877   0.175  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1        5.918   0.764   1.405  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1        6.231   0.799  -1.124  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1        5.758   0.750  -2.250  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.419   0.200  -0.890  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        7.662  -0.182  -1.760  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 10