REMARK  Name = BDB002891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.317   0.297  -0.402  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        0.668  -0.275   0.832  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1        1.964  -0.696   1.151  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        2.992  -0.551   0.201  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        4.282  -0.981   0.600  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        4.490  -1.523   1.864  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        3.406  -1.622   2.710  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        2.641   0.020  -1.050  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1        2.160  -1.220   2.379  0.00  0.00    -0.251 NA
ATOM     10  C   LIG    1        1.338   0.447  -1.349  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        3.643   0.200  -2.087  0.00  0.00    +0.057 N 
ATOM     12  O   LIG    1        4.269  -0.802  -2.457  0.00  0.00    -0.126 OA
ATOM     13  O   LIG    1        3.784   1.344  -2.538  0.00  0.00    -0.126 OA
ENDBRANCH   8  11
BRANCH   2  14
ATOM     14  O   LIG    1       -0.295  -0.439   1.810  0.00  0.00    -0.504 OA
ATOM     15  H   LIG    1        0.202  -0.828   2.565  0.00  0.00    +0.292 HD
ENDBRANCH   2  14
BRANCH   1  16
ATOM     16  C   LIG    1       -1.083   0.790  -0.746  0.00  0.00    +0.144 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.304   2.247  -0.394  0.00  0.00    +0.015 A 
ATOM     18  S   LIG    1       -1.292   2.808   1.231  0.00  0.00    -0.099 S 
ATOM     19  C   LIG    1       -1.590   4.420   0.754  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -1.705   4.542  -0.612  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -1.544   3.291  -1.273  0.00  0.00    +0.013 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     22  C   LIG    1       -2.576  -1.158  -0.747  0.00  0.00    +0.213 C 
ATOM     23  N   LIG    1       -2.131  -0.004  -0.144  0.00  0.00    -0.304 N 
ATOM     24  H   LIG    1       -2.127   0.013   0.870  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -2.274  -1.484  -1.890  0.00  0.00    -0.276 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -3.991  -3.233  -0.527  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -3.486  -1.972   0.151  0.00  0.00    +0.092 C 
ENDBRANCH  22  27
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 6