REMARK  Name = BDB063986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.368  -4.493   1.055  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.863  -3.450   0.691  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.522  -2.170   0.315  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.852  -2.022   0.349  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.561  -1.258  -0.066  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.565  -1.892   0.068  0.00  0.00    +0.187 C 
ATOM      7  N   LIG    1       -0.451  -3.163   0.513  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.185  -3.834   0.643  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.612  -0.816  -0.015  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.138   0.477   0.256  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.936   1.583  -0.090  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.192   1.431  -0.681  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.864   2.610  -0.964  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.127   3.631  -0.592  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.666   0.130  -0.932  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.610   3.264   0.110  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.877  -0.977  -0.592  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.767  -1.330  -0.224  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -1.652  -0.330  -0.380  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.010  -1.661   0.460  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.216  -1.054  -0.261  0.00  0.00    +0.074 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.276   0.443  -0.111  0.00  0.00    +0.043 A 
ATOM     23  N   LIG    1       -4.564   0.920   1.124  0.00  0.00    -0.260 NA
ATOM     24  C   LIG    1       -4.609   2.262   1.277  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -4.376   3.162   0.251  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -4.081   2.657  -1.009  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.029   1.279  -1.198  0.00  0.00    +0.023 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5