REMARK  Name = BDB036896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.803  -0.684   0.233  0.00  0.00    -0.177 NA
ATOM      2  H   LIG    1       -0.642  -0.987  -0.743  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -4.873   1.575  -0.186  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.670   1.408  -0.002  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -2.771   1.615  -1.016  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.171   1.885  -1.905  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.435   1.302  -1.028  0.00  0.00    +0.238 C 
ATOM      8  O   LIG    1       -0.795   1.338  -2.079  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -0.822   0.808   0.283  0.00  0.00    +0.163 C 
ATOM     10  C   LIG    1       -1.649   1.302   1.467  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.113   0.918   1.310  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  S   LIG    1        0.474  -1.427   1.107  0.00  0.00    +0.076 S 
ATOM     13  O   LIG    1        0.788  -0.592   2.247  0.00  0.00    -0.152 OA
ATOM     14  O   LIG    1        0.137  -2.826   1.244  0.00  0.00    -0.152 OA
BRANCH  12  15
ATOM     15  C   LIG    1        1.831  -1.321  -0.051  0.00  0.00    +0.194 A 
ATOM     16  N   LIG    1        1.430  -1.121  -1.339  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        2.425  -0.969  -2.236  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1        3.773  -1.001  -1.903  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.133  -1.196  -0.569  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        3.142  -1.354   0.392  0.00  0.00    +0.049 A 
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3