dsgdb9nsd_000880.xyz

11
gdb 880	7.27394	2.15911	1.66492	1.5885	47.59	-0.1858	0.0621	0.2479	671.6545	0.079713	-376.605347	-376.599148	-376.598203	-376.635026	22.992	
O	 0.1626561431	 1.3472356171	 0.2929550722	-0.43703
C	 0.1440884481	 0.0112962311	 0.0609907355	 0.357467
C	 0.1636447651	-0.7914397592	-1.0382970312	-0.23245
N	 0.1246226546	-2.1334112657	-0.6416336732	-0.354017
C	 0.0841785262	-2.0981781735	 0.6541699553	 0.443572
O	 0.0367560404	-3.1420940321	 1.5032499188	-0.42788
N	 0.0927392255	-0.8296496258	 1.1594364735	-0.349249
H	 0.1976203723	 1.8005917226	-0.5549444591	 0.310198
H	 0.2019928483	-0.5095334949	-2.0782734842	 0.099759
H	 0.0398416644	-3.933529429	 0.9502476137	 0.312311
H	 0.0671266821	-0.5534046306	 2.1260214389	 0.277319
204.0944	222.3162	325.0117	365.9275	404.04	430.211	488.1859	643.1928	645.8066	717.3569	743.4761	748.9529	1006.1787	1055.1925	1127.2605	1164.5452	1204.666	1267.312	1310.4605	1482.6267	1555.9823	1641.9879	1650.2945	3256.2111	3676.9579	3805.5125	3846.0997
OC1=CN=C(O)N1	Oc1cnc(O)[nH]1	
InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)	InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)