REMARK  Name = BDB003747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.928   1.844   2.756  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.107   1.037   2.358  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1        0.041   0.484   0.960  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1       -0.806   0.919   0.014  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.875   0.449  -1.430  0.00  0.00    +0.210 C 
ATOM      6  O   LIG    1       -0.166  -0.331  -2.030  0.00  0.00    -0.285 OA
ATOM      7  C   LIG    1       -2.041   1.141  -2.008  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.580   1.940  -0.996  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.674   2.736  -1.256  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -4.237   2.686  -2.539  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.693   1.860  -3.542  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.571   1.072  -3.281  0.00  0.00    +0.013 A 
ATOM     13  N   LIG    1       -1.819   1.861   0.160  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -2.101   2.178   1.082  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1        1.155  -0.476   1.004  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.615  -0.468   2.331  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        2.666  -1.249   2.778  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        3.291  -2.079   1.849  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        2.849  -2.092   0.513  0.00  0.00    +0.118 A 
ATOM     20  C   LIG    1        1.777  -1.295   0.081  0.00  0.00    +0.040 A 
ATOM     21  N   LIG    1        0.875   0.417   3.105  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        1.008   0.595   4.089  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  19  23
ATOM     23  S   LIG    1        3.641  -3.165  -0.660  0.00  0.00    +0.110 S 
ATOM     24  O   LIG    1        4.243  -4.259   0.070  0.00  0.00    -0.142 OA
ATOM     25  O   LIG    1        4.402  -2.328  -1.560  0.00  0.00    -0.142 OA
BRANCH  23  26
ATOM     26  O   LIG    1        2.430  -3.774  -1.535  0.00  0.00    -0.250 OA
ATOM     27  H   LIG    1        2.494  -3.401  -2.440  0.00  0.00    +0.245 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
TORSDOF 2