D0B8SC -OEChem-04152108542D 40 42 0 1 0 0 0 0 0999 V2000 5.9209 2.0838 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.5230 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.2566 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5230 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 3.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 4.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 3.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 4.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -1.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -0.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 1.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 3.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 2.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 5.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -0.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3385 -0.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3859 0.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 4.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 5 20 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 12 1 0 0 0 0 7 21 1 0 0 0 0 8 17 2 0 0 0 0 9 20 1 0 0 0 0 9 21 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 25 2 0 0 0 0 23 34 1 0 0 0 0 24 27 2 0 0 0 0 24 35 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$