REMARK  Name = BDB036918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.045  -0.497  -1.322  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.186  -0.000   0.066  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.572   0.359   0.482  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.435   1.089  -0.542  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -2.006   1.657  -1.542  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.790   1.083  -0.293  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.354   1.555  -0.988  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.474   0.209   0.513  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.694   0.098   0.436  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.650  -0.573   1.507  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.286  -0.920   0.932  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1        0.995   1.150   0.547  0.00  0.00    +0.078 S 
ATOM     13  O   LIG    1        0.821   1.397   1.965  0.00  0.00    -0.151 OA
ATOM     14  O   LIG    1        0.938   2.248  -0.398  0.00  0.00    -0.151 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.570   0.324   0.331  0.00  0.00    +0.194 A 
ATOM     16  N   LIG    1        2.588  -0.988   0.698  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        3.761  -1.629   0.523  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1        4.894  -1.033  -0.013  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.830   0.307  -0.393  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        3.642   1.009  -0.223  0.00  0.00    +0.049 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3