B9RQ3B -OEChem-04022101092D 41 44 0 1 0 0 0 0 0999 V2000 2.9511 0.4438 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0602 -1.9686 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9442 1.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 1.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 1.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9442 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5812 -1.8086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 1.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0777 0.7529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9442 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4442 0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -1.3927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9387 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2806 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1467 -1.5619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5593 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 2.5294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 -0.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1046 0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 2.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 2.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 0.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 -0.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 1.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8616 0.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5519 -0.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1473 -0.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5553 -0.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9387 0.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8199 -2.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6451 -2.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6285 -1.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 20 2 1 1 0 0 0 3 16 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 31 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 15 2 0 0 0 0 7 22 1 0 0 0 0 8 23 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 6 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 6 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 1 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$