REMARK  Name = BDB051506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.334   0.858  -0.029  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1        0.333   2.062   0.945  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1        0.214   2.039   2.162  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1        0.468   3.183   0.178  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1        0.550   4.518   0.722  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1        0.461   2.824  -1.116  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.364   1.560  -1.369  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.017   0.025   0.045  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.173  -0.754   1.386  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1       -2.493  -1.545   1.433  0.00  0.00    -0.010 C 
ATOM     11  C   LIG    1       -2.519  -2.556   0.278  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -2.417  -1.817  -1.064  0.00  0.00    -0.010 C 
ATOM     13  C   LIG    1       -3.598  -0.847  -1.202  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -3.579   0.167  -0.050  0.00  0.00    -0.010 C 
ATOM     15  C   LIG    1       -3.675  -0.576   1.289  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -1.097  -1.025  -1.108  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -2.263   0.961  -0.096  0.00  0.00    +0.013 C 
ENDBRANCH   1   8
BRANCH   1  21
ATOM     18  C   LIG    1        3.959  -1.565   0.398  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.451  -1.265  -0.863  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.292  -0.488  -0.989  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.611   0.010   0.137  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        2.137  -0.306   1.399  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        3.295  -1.082   1.525  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.783  -2.822  -0.458  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.075  -2.309   0.663  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH   1  21
BRANCH   6  26
ATOM     26  N   LIG    1        0.524   3.737  -2.114  0.00  0.00    -0.331 N 
ATOM     27  H   LIG    1        0.080   4.628  -1.944  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        0.282   3.337  -3.014  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4