-OEChem-01141312322D 60 60 0 1 0 0 0 0 0999 V2000 6.5747 4.3100 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.4407 5.8100 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.0747 3.4440 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.9407 6.6760 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2773 8.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 6.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7500 8.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2445 9.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5747 4.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5747 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 6.6760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9407 4.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8824 12.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6622 9.9260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0634 10.9441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 7.4033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7554 8.1464 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1728 7.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2554 9.0124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8426 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9766 1.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7087 1.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9766 2.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7087 2.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3067 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6567 10.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0744 10.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4811 11.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4756 11.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6852 7.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0931 8.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6528 8.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8653 9.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7087 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7087 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0947 7.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 7.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8839 6.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0021 7.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4578 10.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3057 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6800 11.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 12.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 1 18 2 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 2 20 2 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 24 7 1 6 0 0 0 7 52 1 0 0 0 0 25 8 1 6 0 0 0 8 53 1 0 0 0 0 9 32 1 0 0 0 0 28 10 1 1 0 0 0 10 55 1 0 0 0 0 29 11 1 1 0 0 0 11 56 1 0 0 0 0 12 33 1 0 0 0 0 30 13 1 6 0 0 0 13 57 1 0 0 0 0 14 34 1 0 0 0 0 14 60 1 0 0 0 0 16 35 2 0 0 0 0 21 38 2 0 0 0 0 22 27 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 35 1 0 0 0 0 23 38 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 33 1 1 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 30 32 1 0 0 0 0 30 45 1 0 0 0 0 31 34 1 1 0 0 0 31 46 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 36 37 2 0 0 0 0 36 54 1 0 0 0 0 37 38 1 0 0 0 0 37 59 1 0 0 0 0 M CHG 4 3 1 4 1 17 -1 19 -1 M END > 0 > 0 > 40721993 > 1 > ChemSpider > 17346157 > 17346157 > http://www.chemspider.com > http://www.chemspider.com/Chemical-Structure.17346157.html > 16218791 1 439158 2 5360545 2 > 1 3 > 28 10 5 29 11 5 30 13 6 26 33 5 31 34 5 24 7 6 25 8 6 $$$$