B76KOQ -OEChem-04022107512D 42 44 0 1 0 0 0 0 0999 V2000 4.3511 0.3253 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6299 -2.6103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 -2.6103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 0.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 -0.4837 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5212 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1090 1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 -2.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 -1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 -0.4837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6299 -1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 -3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 -3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5267 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 1.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5579 -1.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8143 -1.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6574 0.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0635 -1.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3199 -1.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3325 -3.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 -4.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8741 -4.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5454 -3.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 -0.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 2.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 3.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7256 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8568 1.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 3.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 4.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 3.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 17 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 6 16 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 33 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 16 1 6 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$