REMARK  Name = BDB018278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.426  -4.423   2.429  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        2.389  -3.137   1.752  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        3.547  -2.386   1.668  0.00  0.00    +0.253 A 
ATOM      4  O   LIG    1        4.635  -2.703   2.139  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        3.420  -1.090   0.961  0.00  0.00    +0.097 A 
ATOM      6  C   LIG    1        2.268  -0.668   0.391  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        1.119  -1.612   0.400  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.233  -2.763   1.095  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        2.192   0.651  -0.146  0.00  0.00    -0.321 N 
ATOM     10  C   LIG    1        3.265   1.425  -0.602  0.00  0.00    +0.106 A 
ATOM     11  C   LIG    1        2.825   2.662  -1.050  0.00  0.00    +0.077 A 
ATOM     12  C   LIG    1        1.423   2.665  -0.834  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        1.074   1.457  -0.279  0.00  0.00    +0.092 A 
BRANCH  11  14
ATOM     14  C   LIG    1        3.597   3.764  -1.621  0.00  0.00    +0.338 C 
ATOM     15  O   LIG    1        3.095   4.832  -1.942  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.924   3.532  -1.780  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        5.190   2.640  -1.504  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  18
ATOM     18  C   LIG    1       -0.057  -1.421  -0.397  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -1.355  -1.365   0.058  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1       -2.130  -1.136  -1.048  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1       -1.422  -1.123  -2.199  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1       -0.158  -1.280  -1.797  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.572  -0.930  -1.075  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.952   0.409  -0.491  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -4.723   0.486   0.678  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.068   1.727   1.217  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.650   2.901   0.593  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.888   2.837  -0.572  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.542   1.599  -1.113  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   7  18
TORSDOF 6