REMARK  Name = BDB036912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.106  -0.944  -1.403  0.00  0.00    -0.168 NA
ATOM      2  C   LIG    1        1.187   0.090  -2.441  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.854  -0.724  -0.143  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        3.363  -0.885  -0.350  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        3.881  -1.439  -1.316  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        4.159  -0.361   0.646  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        5.155  -0.467   0.503  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.794   0.543   1.612  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.634   1.105   2.307  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.312   0.774   1.791  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        1.577   0.651   0.464  0.00  0.00    +0.039 C 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  S   LIG    1       -0.241  -1.963  -1.383  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1       -0.671  -2.195  -2.744  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        0.042  -3.063  -0.484  0.00  0.00    -0.153 OA
BRANCH  12  19
ATOM     15  C   LIG    1       -4.551   1.421   1.244  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.463   0.609   0.603  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -3.214   0.721  -0.772  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -2.229  -0.060  -1.379  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -1.485  -0.954  -0.605  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1       -1.750  -1.106   0.758  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -2.737  -0.322   1.359  0.00  0.00    +0.005 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 3