REMARK  Name = BDB039333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046  -0.223  -1.458  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.717   0.004  -0.290  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.100  -0.066  -0.357  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.115   0.111   0.724  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.374  -0.009  -0.001  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.181  -0.372  -1.326  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        5.025  -0.645  -2.157  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.733  -0.363  -1.560  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.036  -0.606  -2.725  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.641  -0.534  -2.663  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -3.881  -2.908  -3.751  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1       -4.329  -1.849  -2.878  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1       -3.490  -1.017  -2.182  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1       -4.277  -0.133  -1.449  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -3.622   0.824  -0.649  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1       -2.213   0.787  -0.672  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -1.525  -0.158  -1.440  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -5.633  -0.466  -1.734  0.00  0.00    +0.029 A 
ATOM     19  N   LIG    1       -2.146  -1.072  -2.222  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1       -5.634  -1.526  -2.616  0.00  0.00    +0.088 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.337   1.861   0.189  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.938   1.802   1.607  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -4.634   0.699   2.313  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -5.718   1.686   2.768  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -4.711   2.784   2.401  0.00  0.00    +0.086 C 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   5  26
ATOM     26  C   LIG    1        5.670  -0.143   0.654  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        5.809  -1.474   1.413  0.00  0.00    +0.240 C 
ATOM     28  O   LIG    1        5.027  -2.417   1.315  0.00  0.00    -0.273 OA
ATOM     29  N   LIG    1        6.894  -1.558   2.255  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        6.968  -2.429   2.763  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        7.530  -0.497   2.848  0.00  0.00    +0.219 C 
ATOM     32  O   LIG    1        8.213  -0.650   3.856  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1        7.360   0.850   2.184  0.00  0.00    +0.098 C 
ATOM     34  C   LIG    1        5.958   1.007   1.614  0.00  0.00    +0.041 C 
ENDBRANCH   5  26
TORSDOF 4