REMARK  Name = BDB028805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.436  -1.671  -0.651  0.00  0.00    -0.073 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.587  -0.311  -0.252  0.00  0.00    +0.141 C 
ATOM      3  C   LIG    1       -1.368   0.895  -1.165  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -0.278   1.265  -1.595  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -2.489   1.647  -1.449  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -2.333   2.463  -2.025  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -3.771   1.467  -0.996  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.656   2.277  -1.255  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.005   0.270  -0.110  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -3.012  -0.841  -0.419  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        4.595  -1.127  -1.158  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        3.368  -0.777  -0.372  0.00  0.00    +0.046 A 
ATOM     13  N   LIG    1        2.194  -1.293  -0.790  0.00  0.00    -0.227 NA
ATOM     14  C   LIG    1        1.092  -0.958  -0.096  0.00  0.00    +0.192 A 
ATOM     15  N   LIG    1        1.074  -0.190   1.006  0.00  0.00    -0.187 NA
ATOM     16  C   LIG    1        2.269   0.284   1.367  0.00  0.00    +0.216 A 
ATOM     17  C   LIG    1        3.456   0.040   0.731  0.00  0.00    +0.090 A 
BRANCH  16  18
ATOM     18  O   LIG    1        2.248   1.066   2.478  0.00  0.00    -0.492 OA
ATOM     19  H   LIG    1        1.300   1.051   2.696  0.00  0.00    +0.294 HD
ENDBRANCH  16  18
ENDBRANCH   1  14
TORSDOF 3