D2K6DU -OEChem-06062108542D 27 28 0 0 0 0 0 0 0999 V2000 5.5116 0.5224 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4291 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5709 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5709 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 3.5709 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0084 2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 2.5928 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7026 1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9329 2.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 1.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1275 2.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2615 2.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 4 20 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 M CHG 2 6 -1 8 1 M END $$$$