REMARK  Name = BDB014272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.839  -1.402  -1.262  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1       -2.410  -0.887  -0.119  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1       -2.110  -1.095   0.829  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -3.411  -0.001  -0.445  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -3.461   0.065  -1.831  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -4.324   0.863  -2.503  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -5.125   1.621  -1.728  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -5.148   1.615  -0.341  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -4.282   0.759   0.342  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -2.485  -0.823  -2.339  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.215   0.662   1.814  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -3.196   0.354   2.408  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.389   0.902   2.433  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -6.172   0.904   1.852  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.731  -2.400  -1.217  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.067  -2.308   0.045  0.00  0.00    -0.486 OA
BRANCH  16  20
ATOM     17  C   LIG    1        3.382   0.004   0.542  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.055  -1.041   1.404  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        1.890  -1.789   1.198  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        1.044  -1.515   0.124  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        1.357  -0.462  -0.732  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        2.521   0.289  -0.525  0.00  0.00    +0.027 A 
BRANCH  17  25
ATOM     23  C   LIG    1        6.588   1.765   1.461  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        5.523   0.711   1.635  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        4.532   0.810   0.675  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1        4.637   1.545  -0.013  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        5.584  -0.094   2.557  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6