18
gdb 67507	2.43661	1.51773	1.1386	2.9056	77.75	-0.2303	-0.032	0.1983	1113.3013	0.146217	-401.861089	-401.852882	-401.851938	-401.894057	31.303	
C	-0.2847083081	 1.5749246122	 0.1553769604	-0.499562
C	-0.1460342233	 0.0897897134	-0.0138051893	 0.290119
C	-0.8568757857	-0.9461528569	 0.8097425076	-0.17121
C	-1.924613075	-1.8949074428	 0.3622445897	 0.105454
O	-2.516277837	-2.6257357985	 1.1189325682	-0.264035
C	 0.6902294515	-0.9254251263	 0.718507698	-0.071616
N	 1.4036244022	-1.3989795212	-0.5129684944	-0.119562
C	 0.448155406	-1.9982616001	-1.450618146	-0.2577
C	 0.467871121	-0.5207603516	-1.304347058	-0.098088
H	 0.6201118553	 2.0966431122	-0.1760303112	 0.129221
H	-1.1281739538	 1.9643482747	-0.4269402083	 0.127789
H	-0.4575500506	 1.8330235592	 1.2045447651	 0.127595
H	-1.0956145882	-0.5890019933	 1.8116460379	 0.121625
H	-2.205623811	-1.8360898397	-0.7110480368	 0.090561
H	 1.263642134	-0.8590145606	 1.6346929135	 0.114334
H	 0.9355292446	-2.3869425591	-2.3416706338	 0.131056
H	-0.3440040501	-2.6341885688	-1.0776011943	 0.136304
H	 0.8605405382	 0.1195419371	-2.0882717883	 0.107715
67.8109	132.1095	204.6421	211.3695	278.7883	337.1746	403.0194	413.308	520.6649	575.8654	660.1223	684.5348	756.4011	767.3501	850.0598	890.7929	916.9999	968.3441	993.092	998.0883	1043.3347	1065.0778	1074.629	1111.6078	1113.5427	1128.3303	1144.5067	1211.32	1232.1089	1256.5558	1311.3431	1329.7687	1415.0803	1421.0388	1475.9995	1484.6152	1498.1606	1503.8717	1800.7957	2892.8283	3024.99	3084.9363	3105.7507	3120.3708	3125.9457	3159.2534	3192.4461	3223.2294
CC12C(C=O)C1N1CC21	C[C@]12[C@@H](C=O)[C@H]1N1C[C@@H]21	
InChI=1S/C7H9NO/c1-7-4(3-9)6(7)8-2-5(7)8/h3-6H,2H2,1H3	InChI=1S/C7H9NO/c1-7-4(3-9)6(7)8-2-5(7)8/h3-6H,2H2,1H3/t4-,5-,6+,7+,8?/m0/s1
