REMARK  Name = BDB015434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535  -0.394   1.967  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.025  -1.704   1.883  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        0.786  -1.958   3.087  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.404  -0.768   3.958  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.277   0.212   3.083  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.639   1.649  -0.092  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.697   0.339   0.595  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.437  -0.539   0.425  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.213   0.144   0.908  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.310   1.622   0.862  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.235   2.083  -0.279  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.871   1.690  -1.181  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.358   1.671  -1.371  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        0.470  -2.525   0.500  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        1.094  -3.767   0.915  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -0.584  -2.554  -0.493  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        1.774  -1.488  -0.145  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        1.457  -0.470  -1.052  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.474   0.325  -1.583  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        3.801   0.075  -1.221  0.00  0.00    +0.088 A 
ATOM     21  C   LIG    1        4.123  -0.948  -0.323  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        3.105  -1.742   0.207  0.00  0.00    +0.030 A 
BRANCH  20  23
ATOM     23  S   LIG    1        5.097   1.099  -1.883  0.00  0.00    -0.006 S 
ATOM     24  O   LIG    1        4.496   2.360  -2.275  0.00  0.00    -0.170 OA
ATOM     25  O   LIG    1        6.201   1.061  -0.944  0.00  0.00    -0.170 OA
ATOM     26  C   LIG    1        5.587   0.237  -3.353  0.00  0.00    +0.200 C 
ENDBRANCH  20  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5