REMARK  Name = BDB046928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.612  -1.274   0.786  0.00  0.00    +0.098 A 
ATOM      2  N   LIG    1       -0.623  -0.501   0.185  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1        0.553  -0.837   0.662  0.00  0.00    +0.165 A 
ATOM      4  S   LIG    1        0.558  -2.058   1.846  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1       -1.145  -2.179   1.720  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.791  -0.104  -0.797  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.430  -0.205  -0.509  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -3.027  -1.128   0.447  0.00  0.00    +0.090 A 
ATOM      9  N   LIG    1       -3.903  -1.929   1.107  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -5.214  -1.807   0.806  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -5.704  -0.918  -0.129  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -6.482   0.993  -2.103  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.311   0.851  -1.800  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.344   1.583  -2.377  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -4.824   2.159  -3.009  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1        1.690  -0.204   0.227  0.00  0.00    -0.261 N 
ATOM     17  H   LIG    1        1.501   0.491  -0.479  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        2.987  -0.494   0.579  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        3.380  -1.404   1.298  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.009   0.400  -0.040  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.764   1.763  -0.261  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.750   2.562  -0.844  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.981   2.009  -1.198  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.235   0.658  -0.963  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.254  -0.145  -0.380  0.00  0.00    +0.013 A 
ENDBRANCH  18  20
ENDBRANCH   3  16
TORSDOF 5