REMARK  Name = BDB046834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.042   0.726   0.881  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1        0.063   1.127   1.901  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1       -1.285   0.423   1.654  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -1.731   0.504   0.212  0.00  0.00    -0.042 C 
ATOM      5  C   LIG    1       -0.848   0.861  -0.739  0.00  0.00    -0.008 C 
ATOM      6  C   LIG    1        0.596   1.174  -0.449  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.128   0.162  -0.117  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -3.880   0.962  -0.992  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -5.204   0.639  -1.306  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -5.789  -0.494  -0.734  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.063  -1.299   0.147  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.738  -0.966   0.451  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  N   LIG    1       -7.159  -0.838  -1.059  0.00  0.00    -0.323 N 
ATOM     14  C   LIG    1       -7.988  -1.323  -0.099  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -9.306  -1.659  -0.391  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1       -9.783  -1.498  -1.683  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -8.932  -1.003  -2.660  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1       -7.620  -0.679  -2.326  0.00  0.00    +0.091 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        2.395   1.232   1.157  0.00  0.00    +0.085 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.083   0.477   2.304  0.00  0.00    +0.023 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.506   0.975   2.568  0.00  0.00    +0.075 C 
BRANCH  21  30
ATOM     22  O   LIG    1        6.869   2.485  -1.216  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        6.597   1.540  -0.486  0.00  0.00    +0.259 A 
ATOM     24  C   LIG    1        7.102   0.179  -0.731  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        6.700  -0.824   0.157  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        7.165  -2.123  -0.052  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        8.015  -2.411  -1.125  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.407  -1.399  -2.002  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1        5.846  -0.573   1.244  0.00  0.00    -0.234 NA
ATOM     30  C   LIG    1        5.439   0.641   1.427  0.00  0.00    +0.110 A 
ATOM     31  C   LIG    1        7.950  -0.096  -1.808  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1        5.789   1.683   0.613  0.00  0.00    -0.310 N 
ATOM     33  H   LIG    1        5.463   2.622   0.788  0.00  0.00    +0.170 HD
ENDBRANCH  21  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6