REMARK  Name = BDB015381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.482  -2.448   1.701  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.353  -2.510   0.572  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.146  -3.534  -0.194  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.890  -4.360   0.469  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -1.482  -3.521   1.596  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.271  -1.521   0.361  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1        2.425  -1.409   1.288  0.00  0.00    +0.090 C 
ATOM      8  C   LIG    1        2.950   0.058   1.223  0.00  0.00    +0.107 C 
ATOM      9  N   LIG    1        3.385   0.462  -0.139  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.416   0.025  -1.167  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1        3.450  -2.391   0.690  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1        3.143  -2.400  -0.812  0.00  0.00    +0.025 C 
ATOM     13  C   LIG    1        1.944  -1.448  -0.960  0.00  0.00    +0.090 C 
BRANCH   9  14
ATOM     14  C   LIG    1        3.811   1.872  -0.136  0.00  0.00    +0.057 C 
ATOM     15  C   LIG    1        4.359   2.316  -1.505  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        3.036   3.059  -1.774  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1        2.670   2.893  -0.287  0.00  0.00    +0.019 C 
ENDBRANCH   9  14
ENDBRANCH   2   6
BRANCH   1  18
ATOM     18  S   LIG    1       -0.962  -1.086   2.561  0.00  0.00    +0.077 S 
ATOM     19  O   LIG    1       -1.876  -1.522   3.601  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        0.181  -0.269   2.915  0.00  0.00    -0.150 OA
BRANCH  18  24
ATOM     21  C   LIG    1       -3.437   1.319  -0.460  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1       -4.061   0.415   0.414  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -3.313  -0.324   1.333  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -1.925  -0.174   1.371  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -1.291   0.740   0.529  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -2.043   1.476  -0.387  0.00  0.00    +0.006 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -4.962   1.236  -2.467  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -4.233   2.134  -1.465  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -5.212   3.083  -0.769  0.00  0.00    +0.012 C 
ENDBRANCH  21  28
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 5