REMARK  Name = BDB036891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.464  -0.738   0.757  0.00  0.00    -0.178 NA
ATOM      2  H   LIG    1       -0.579  -1.662   0.335  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -4.909  -0.312  -0.802  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.753   0.027  -0.569  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -2.799  -0.018  -1.553  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.124  -0.407  -2.429  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.444  -0.076  -1.351  0.00  0.00    +0.238 C 
ATOM      8  O   LIG    1       -0.709  -0.626  -2.171  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -0.916   0.436  -0.012  0.00  0.00    +0.163 C 
ATOM     10  C   LIG    1       -1.988   1.203   0.753  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.287   0.415   0.812  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  S   LIG    1        0.944  -0.624   1.667  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1        0.806   0.538   2.515  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        1.192  -1.943   2.201  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.186  -0.295   0.470  0.00  0.00    +0.123 A 
ATOM     16  C   LIG    1        2.919   0.875   0.545  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        3.874   1.205  -0.357  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        4.109   0.319  -1.352  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        3.431  -0.883  -1.491  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        2.448  -1.199  -0.557  0.00  0.00    +0.031 A 
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3