REMARK  Name = BDB001670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.303   0.314  -0.540  0.00  0.00    -0.109 OA
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.662   0.215  -0.258  0.00  0.00    -0.079 N 
ATOM      3  C   LIG    1        2.526   1.213  -0.568  0.00  0.00    +0.279 C 
ATOM      4  O   LIG    1        2.321   2.334  -0.989  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1        3.858   0.634  -0.383  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        3.694  -0.717  -0.107  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        4.769  -1.560   0.086  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        6.045  -0.993   0.003  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        6.213   0.380  -0.277  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.107   1.213  -0.480  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.257  -0.997  -0.118  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1        1.774  -2.113  -0.088  0.00  0.00    -0.267 OA
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  S   LIG    1       -0.569   0.722   0.784  0.00  0.00    +0.132 S 
ATOM     14  O   LIG    1       -0.163  -0.109   1.902  0.00  0.00    -0.140 OA
ATOM     15  O   LIG    1       -0.529   2.167   0.908  0.00  0.00    -0.140 OA
BRANCH  13  19
ATOM     16  C   LIG    1       -5.617   2.023   0.187  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.557   0.966   0.083  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1       -3.232   1.256   0.425  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -2.243   0.260   0.358  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1       -2.569  -1.052  -0.035  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1       -1.563  -2.165  -0.131  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1       -3.905  -1.328  -0.366  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.887  -0.335  -0.302  0.00  0.00    +0.004 A 
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 3