REMARK  Name = BDB056546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.523  -0.829  -1.331  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -0.710  -1.434  -0.265  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1        0.662  -1.554  -0.208  0.00  0.00    +0.224 C 
ATOM      4  O   LIG    1        1.197  -2.240   0.668  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.546  -2.156   0.684  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -2.983  -1.791   0.316  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.890  -1.499  -1.179  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.431   2.648   0.248  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -1.408   1.223   0.031  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -0.828   0.665   0.648  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -1.674   0.700  -1.216  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -2.105   1.370  -2.151  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -3.906  -2.833   0.581  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -3.632  -3.628   0.092  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        1.513  -0.798  -1.217  0.00  0.00    +0.173 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.242   0.276  -0.507  0.00  0.00    +0.146 A 
ATOM     17  O   LIG    1        1.739   1.533  -0.630  0.00  0.00    -0.359 OA
ATOM     18  N   LIG    1        2.509   2.412   0.108  0.00  0.00    -0.083 NA
ATOM     19  C   LIG    1        3.481   1.673   0.657  0.00  0.00    +0.081 A 
ATOM     20  C   LIG    1        4.500   2.305   1.522  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1        3.357   0.313   0.295  0.00  0.00    +0.071 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 4