REMARK  Name = BDB003663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.482  -0.696   0.353  0.00  0.00    +0.138 A 
ATOM      2  O   LIG    1        0.525  -0.713  -0.620  0.00  0.00    -0.453 OA
ATOM      3  C   LIG    1       -0.687  -0.938  -0.023  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1       -0.497  -1.072   1.340  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.891  -0.923   1.580  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        3.814   0.252   0.601  0.00  0.00    +0.137 A 
ATOM      7  C   LIG    1        2.845  -0.464  -0.117  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.242  -0.998  -1.356  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.547  -0.832  -1.837  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.489  -0.127  -1.092  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.128   0.423   0.135  0.00  0.00    +0.033 A 
BRANCH   6  13
ATOM     12  O   LIG    1        2.777   1.901   1.814  0.00  0.00    -0.126 OA
ATOM     13  N   LIG    1        3.483   0.885   1.857  0.00  0.00    +0.057 N 
ATOM     14  O   LIG    1        3.949   0.370   2.882  0.00  0.00    -0.126 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1       -1.879  -0.985  -0.844  0.00  0.00    +0.118 C 
ATOM     16  S   LIG    1       -1.856  -2.037  -2.157  0.00  0.00    -0.032 S 
BRANCH  15  17
ATOM     17  N   LIG    1       -2.966  -0.190  -0.491  0.00  0.00    -0.321 N 
ATOM     18  C   LIG    1       -2.926   0.877   0.507  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1       -4.141   1.743   0.199  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -5.133   0.741  -0.369  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -4.245  -0.174  -1.199  0.00  0.00    +0.106 C 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4