PUBCHEM-ZINC02155565 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 0 0 0 0 0 0999 V2000 0.0270 1.5400 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 0.0310 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -0.4950 -0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -0.7540 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -2.1360 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -2.5720 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -1.5250 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -0.0290 0.0300 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -1.6820 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 -0.7000 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 0.5160 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 -1.2970 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -3.9650 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -4.1530 0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0360 1.9650 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.8970 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.8830 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.7990 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 -2.6900 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 -1.9310 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9160 -0.4990 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 -1.8940 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -4.8690 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 M CHG 1 14 -1 M END