REMARK  Name = BDB008983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.755   0.625   0.810  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.905   0.086  -0.158  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.192   0.924  -1.033  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.358   2.312  -0.930  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.184   2.853   0.053  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.871   2.011   0.928  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.473  -0.179   1.736  0.00  0.00    -0.220 N 
ATOM      8  H   LIG    1        2.772   0.243   2.613  0.00  0.00    +0.173 HD
BRANCH   7   9
ATOM      9  S   LIG    1        3.364  -1.527   1.309  0.00  0.00    +0.045 S 
ATOM     10  O   LIG    1        3.869  -2.045   2.566  0.00  0.00    -0.155 OA
ATOM     11  O   LIG    1        2.596  -2.382   0.433  0.00  0.00    -0.155 OA
BRANCH   9  13
ATOM     12  C   LIG    1        4.449  -0.437  -1.010  0.00  0.00    +0.033 C 
ATOM     13  C   LIG    1        4.791  -0.881   0.406  0.00  0.00    +0.145 C 
ATOM     14  C   LIG    1        5.508   0.219   1.180  0.00  0.00    +0.033 C 
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1       -0.710   0.346  -2.100  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.689  -0.707  -1.590  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -2.833  -0.298  -0.715  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -3.068   1.145  -0.368  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -4.458   1.407   0.221  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.821   0.350   1.256  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.809  -1.049   0.639  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.635  -1.282  -0.272  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -3.383  -2.688  -0.676  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -4.104  -3.607  -0.300  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -2.310  -2.890  -1.500  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -2.108  -3.846  -1.775  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -1.461  -1.933  -1.956  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5