REMARK  Name = BDB003507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.057  -1.590   1.211  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.057  -0.607   0.805  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1        0.358   0.361   0.787  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -1.295  -0.845   0.997  0.00  0.00    +0.251 C 
ATOM      5  O   LIG    1       -1.732  -1.934   1.356  0.00  0.00    -0.272 OA
BRANCH   4   6
ATOM      6  C   LIG    1       -2.171   0.371   0.682  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -3.523   0.161   1.082  0.00  0.00    -0.482 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -4.388   0.703   0.165  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1       -4.910  -0.126  -0.841  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -4.531  -1.577  -0.927  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -5.776   0.431  -1.791  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -6.135   1.784  -1.732  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -7.093   2.358  -2.735  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -5.647   2.576  -0.685  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -4.782   2.044   0.281  0.00  0.00    -0.008 A 
ATOM     16  C   LIG    1       -4.275   2.921   1.389  0.00  0.00    +0.047 C 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        2.390  -1.507   0.395  0.00  0.00    +0.104 C 
BRANCH  17  21
ATOM     18  C   LIG    1        3.824   2.599   0.601  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.904   1.768   1.719  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        3.457   0.446   1.659  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        2.917  -0.068   0.472  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        2.839   0.773  -0.649  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        3.290   2.097  -0.585  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.288   4.739  -0.327  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.294   3.868   0.797  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  21
BRANCH  17  26
ATOM     26  N   LIG    1        3.423  -2.482   0.837  0.00  0.00    -0.290 NA
ATOM     27  C   LIG    1        2.894  -3.858   0.972  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1        4.008  -4.915   0.920  0.00  0.00    +0.175 C 
ATOM     29  O   LIG    1        4.678  -4.944  -0.347  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        4.692  -3.670  -1.002  0.00  0.00    +0.175 C 
ATOM     31  C   LIG    1        4.631  -2.485  -0.025  0.00  0.00    +0.113 C 
ENDBRANCH  17  26
ENDBRANCH   1  17
TORSDOF 8