REMARK  Name = BDB009070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.094  -0.015  -1.329  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.366   0.838  -0.489  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.449   1.767  -1.010  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.294   1.854  -2.398  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.016   1.009  -3.240  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.909   0.076  -2.708  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.913  -2.087  -2.503  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.796  -1.857  -1.306  0.00  0.00    +0.267 C 
ATOM      9  N   LIG    1        2.976  -0.918  -0.714  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        3.039  -0.901   0.302  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.564  -2.602  -0.297  0.00  0.00    +0.133 A 
ATOM     12  N   LIG    1        4.419  -2.332   1.071  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1        5.208  -3.129   1.759  0.00  0.00    +0.156 A 
ATOM     14  S   LIG    1        6.159  -4.227   0.849  0.00  0.00    -0.083 S 
ATOM     15  C   LIG    1        5.472  -3.604  -0.592  0.00  0.00    +0.079 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.324   2.689  -0.097  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.035   1.964   1.043  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.257   1.147   0.757  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -2.827   1.064  -0.631  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.245   0.484  -0.670  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.361  -0.739   0.232  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.017  -0.386   1.680  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -2.810   0.504   1.800  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.228   0.647   3.158  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -2.718   0.089   4.135  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -1.120   1.443   3.253  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -0.708   1.556   4.173  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -0.512   2.095   2.227  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4