REMARK  Name = BDB019047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.925  -0.431  -0.075  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.290  -0.119  -1.305  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -1.083  -0.219  -1.343  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.467   0.154  -2.607  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.436   0.457  -3.368  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.861  -0.619  -0.237  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.264  -0.894   0.893  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.663   0.298  -2.561  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.114  -0.798   0.941  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.176  -0.358   0.553  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        4.335   0.497   1.279  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.952   0.476   1.079  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.384  -0.407   0.152  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.222  -1.263  -0.574  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.605  -1.241  -0.373  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.673  -0.342   0.784  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.253   1.390  -0.816  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.284   0.985   0.592  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        8.666   0.975   1.074  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -3.231  -0.703  -0.378  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.588  -0.870  -1.312  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.048  -1.319   0.654  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.496  -1.038   0.375  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -6.048   0.232   0.520  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.404   1.515   0.894  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.656   2.358   1.131  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.763   1.776   0.405  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -7.385   0.471   0.229  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -8.230  -0.524  -0.217  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -7.703  -1.807  -0.363  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -6.354  -2.052  -0.069  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.881  -3.295  -0.238  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6