REMARK  Name = BDB036892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.119  -0.338  -1.266  0.00  0.00    -0.178 NA
ATOM      2  H   LIG    1        0.437  -0.325  -2.244  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.179   0.160  -0.350  0.00  0.00    +0.163 C 
ATOM      4  C   LIG    1        2.184   0.989  -1.145  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        1.984   1.347  -2.304  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        3.368   1.257  -0.506  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        4.032   1.786  -1.059  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.958   0.412   0.399  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.170   0.433   0.589  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.036  -0.521   1.152  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        1.912  -1.028   0.259  0.00  0.00    +0.039 C 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  S   LIG    1       -1.339   0.518  -1.213  0.00  0.00    +0.064 S 
ATOM     13  O   LIG    1       -1.030   1.915  -1.014  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -2.153   0.042  -2.304  0.00  0.00    -0.153 OA
BRANCH  12  17
ATOM     15  C   LIG    1       -2.115  -2.564  -0.099  0.00  0.00    +0.071 C 
ATOM     16  C   LIG    1       -2.448  -1.292   0.584  0.00  0.00    +0.107 A 
ATOM     17  C   LIG    1       -2.177   0.034   0.187  0.00  0.00    +0.169 A 
ATOM     18  C   LIG    1       -2.731   0.821   1.164  0.00  0.00    +0.161 A 
ATOM     19  C   LIG    1       -2.852   2.273   1.391  0.00  0.00    +0.091 C 
ATOM     20  O   LIG    1       -3.275   0.013   2.115  0.00  0.00    -0.358 OA
ATOM     21  N   LIG    1       -3.090  -1.312   1.761  0.00  0.00    -0.081 NA
ENDBRANCH  12  17
ENDBRANCH   1  12
TORSDOF 3