REMARK  Name = BDB046905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.863   0.585   0.816  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1        1.777  -0.398   0.504  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1        3.048   0.155   0.587  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1        2.967   1.465   0.937  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1        1.666   1.710   1.077  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.269  -0.558   0.332  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1        5.527   0.054   0.435  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        6.627  -0.771   0.157  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        7.979  -0.187   0.248  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1        8.037   1.131   0.605  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1        8.957   1.543   0.672  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        6.922   1.868   0.860  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1        8.986  -0.845   0.018  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        6.487  -2.112  -0.200  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        5.212  -2.617  -0.274  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1        5.726   1.404   0.792  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1        4.113  -1.881  -0.020  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.624   0.484   0.866  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.272   0.832  -0.487  0.00  0.00    +0.089 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.265   1.565  -1.614  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1       -2.749   0.852  -0.438  0.00  0.00    -0.301 NA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.303  -0.516  -0.382  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.786  -0.549  -0.064  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -5.684  -1.209  -0.915  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -7.048  -1.250  -0.611  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -7.528  -0.636   0.550  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1       -6.639   0.018   1.407  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.276   0.059   1.102  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.927  -0.678   0.859  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1      -10.060  -0.715   1.108  0.00  0.00    -0.191 NA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7