REMARK  Name = BDB065348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.330   1.978  -0.357  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -2.167   1.597   0.755  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.185   3.361  -0.755  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.294   1.310  -0.110  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        1.373   1.853  -0.811  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.656   1.339  -0.605  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.883   0.290   0.304  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        1.780  -0.226   1.009  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.493   0.283   0.813  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.237  -0.247   0.518  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        4.786  -0.334   1.809  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        6.072  -0.842   2.013  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.832  -1.273   0.929  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.307  -1.197  -0.358  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.021  -0.688  -0.561  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1       -1.877   1.173  -1.730  0.00  0.00    -0.182 NA
ATOM     17  H   LIG    1       -1.608   1.657  -2.585  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.921  -0.289  -1.768  0.00  0.00    +0.185 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -1.989  -1.893  -0.017  0.00  0.00    -0.291 OA
ATOM     20  C   LIG    1       -2.595  -1.008  -0.621  0.00  0.00    +0.181 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.011  -0.690  -0.275  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1       -4.526  -1.098   0.959  0.00  0.00    +0.134 A 
ATOM     23  F   LIG    1       -3.770  -1.754   1.851  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -5.847  -0.824   1.311  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -6.675  -0.135   0.428  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -6.176   0.280  -0.806  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.851   0.004  -1.159  0.00  0.00    +0.014 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6