REMARK  Name = BDB031671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.025  -0.234  -2.292  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.422   0.312  -3.028  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.838   0.463  -1.354  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.824  -0.148  -0.565  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -2.610   0.569   0.344  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -3.493  -0.364   0.962  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -3.239  -1.606   0.425  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -2.400   1.958   0.472  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -1.429   2.583  -0.315  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1       -2.243  -1.462  -0.503  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1       -1.816  -2.214  -1.038  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -0.665   1.846  -1.217  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1       -4.473  -0.087   1.966  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1       -5.263   0.144   2.784  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        0.924  -1.540  -1.816  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        0.057  -2.615  -1.379  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.891  -1.744  -2.873  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1        3.634   0.382   0.497  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        2.931  -0.107  -0.608  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        1.806  -0.915  -0.406  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        1.396  -1.261   0.885  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.100  -0.770   1.985  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.214   0.051   1.792  0.00  0.00    +0.019 A 
BRANCH  18  25
ATOM     24  N   LIG    1        5.697   1.914   0.145  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        4.778   1.224   0.306  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 5