REMARK  Name = BDB045787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.028   1.776  -1.033  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        0.977   2.381  -1.764  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.301   3.326  -2.744  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.630   3.693  -2.976  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.657   3.126  -2.229  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.359   2.172  -1.258  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.737  -0.213   0.216  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        3.458  -0.302  -0.489  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.736   0.712  -0.019  0.00  0.00    +0.246 C 
ATOM     10  O   LIG    1        0.636   0.655   0.524  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.489  -1.371   1.052  0.00  0.00    +0.105 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.784  -1.976   1.580  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.486  -1.051   2.568  0.00  0.00    +0.122 C 
BRANCH  13  15
ATOM     14  O   LIG    1        6.847  -1.597   2.455  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1        5.772  -1.669   3.027  0.00  0.00    +0.305 C 
BRANCH  15  16
ATOM     16  O   LIG    1        5.635  -2.384   4.157  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1        6.533  -2.735   4.333  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1       -0.362   2.014  -1.479  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -0.456   1.414  -0.658  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -1.526   2.449  -2.080  0.00  0.00    +0.248 C 
ATOM     21  O   LIG    1       -1.617   3.261  -2.994  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.783   1.867  -1.520  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.824   0.580  -0.960  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -4.015   0.059  -0.424  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -5.171   0.855  -0.482  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.144   2.127  -1.059  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.953   2.631  -1.579  0.00  0.00    +0.013 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -4.045  -1.285   0.181  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -3.107  -1.658   1.160  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -3.132  -2.932   1.735  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -4.096  -3.856   1.340  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.033  -3.508   0.371  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -5.007  -2.233  -0.202  0.00  0.00    +0.008 A 
ENDBRANCH  24  28
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 9