REMARK  Name = BDB003935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.882  -2.479  -1.796  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.261  -1.673  -1.101  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.901  -1.610  -1.223  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -2.716  -2.172  -2.050  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.250  -0.409  -1.356  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.899  -0.029  -2.469  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.924   0.334  -0.052  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.954   1.501  -0.327  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.383   0.942  -0.189  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        1.496   1.738  -0.386  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        1.427   2.945  -0.600  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        0.342  -0.414   0.329  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.072  -0.559   0.879  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -3.191   0.858   0.636  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -4.215  -0.214   1.002  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -4.989  -0.696  -0.212  0.00  0.00    +0.096 C 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.836   1.116  -0.304  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        3.153  -0.001  -1.087  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        4.441  -0.563  -0.995  0.00  0.00    +0.079 A 
ATOM     20  C   LIG    1        5.380   0.026  -0.142  0.00  0.00    +0.039 A 
ATOM     21  S   LIG    1        6.856  -0.860  -0.236  0.00  0.00    -0.075 S 
ATOM     22  C   LIG    1        6.138  -1.919  -1.372  0.00  0.00    +0.157 A 
ATOM     23  C   LIG    1        5.079   1.165   0.624  0.00  0.00    +0.018 A 
ATOM     24  N   LIG    1        4.886  -1.677  -1.689  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        3.793   1.704   0.525  0.00  0.00    +0.014 A 
ENDBRANCH  10  17
TORSDOF 1