D04KCX -OEChem-04152110123D 19 20 0 0 0 0 0 0 0999 V2000 -4.3624 1.3255 0.0006 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7912 0.7687 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 0.3978 0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7258 -1.4801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 -1.0544 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 -0.1743 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 -0.3741 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8996 1.1183 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2328 -1.2746 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 1.3106 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1385 0.2104 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 0.3085 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 1.9995 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 -2.2901 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6773 2.3225 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2773 -1.9431 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7771 -1.7200 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6718 1.3526 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 M END $$$$