REMARK  Name = BDB031587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.079  -0.182  -0.533  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -1.141   0.577  -1.200  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.166  -0.685  -0.215  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.294  -1.707   0.453  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.139   1.633   1.256  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.363   0.763   0.872  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.468   0.237  -0.390  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -5.170   0.692  -0.959  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.422  -0.303  -1.092  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -3.344  -0.151  -2.311  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.293  -0.948  -0.277  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.666  -1.036   1.203  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.195   0.297   1.705  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.313   0.087  -0.708  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        2.646   0.057  -0.121  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.535   0.894  -0.803  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.881   1.036  -0.407  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        5.343   0.321   0.699  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.489  -0.517   1.397  0.00  0.00    +0.001 A 
ATOM     20  S   LIG    1        2.774   1.678  -2.128  0.00  0.00    -0.096 S 
ATOM     21  C   LIG    1        3.155  -0.652   1.000  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.283   0.918  -1.813  0.00  0.00    +0.059 A 
ENDBRANCH   3  14
TORSDOF 2