REMARK  Name = BDB020799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.183   0.518  -0.067  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -2.091   1.573   0.253  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -3.433   1.277   0.250  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -4.068   2.448   0.551  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -3.182   3.394   0.764  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.945   0.004  -0.026  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -3.114  -0.961  -0.314  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.934   2.842   0.581  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.763  -0.677  -0.327  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.473   0.883  -0.532  0.00  0.00    +0.404 C 
ATOM     11  N   LIG    1        3.119   0.865  -0.233  0.00  0.00    -0.263 N 
ATOM     12  C   LIG    1        2.548  -0.029   0.768  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        1.141  -0.479   0.371  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        0.281   0.672  -0.103  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        0.876   1.812  -0.508  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        2.355   2.054  -0.568  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1        5.006   1.766  -1.191  0.00  0.00    -0.226 OA
BRANCH  10  18
ATOM     18  O   LIG    1        5.129  -0.187  -0.014  0.00  0.00    -0.445 OA
BRANCH  18  20
ATOM     19  C   LIG    1        6.892  -1.669   0.519  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        6.555  -0.362  -0.215  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1        6.893  -0.534  -1.700  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        7.354   0.777   0.428  0.00  0.00    +0.055 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -5.307  -0.194   0.014  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -5.875   0.431   0.576  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -5.876  -1.532  -0.039  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -7.364  -1.534   0.055  0.00  0.00    +0.122 A 
ATOM     27  O   LIG    1       -7.913  -0.741   1.025  0.00  0.00    -0.466 OA
ATOM     28  C   LIG    1       -9.260  -0.888   0.939  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1       -9.587  -1.760  -0.073  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -8.361  -2.178  -0.646  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6