B1WJN4 -OEChem-04012112532D 21 22 0 0 0 0 0 0 0999 V2000 8.1263 -0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 1.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7856 -2.0823 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5176 -2.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -0.5377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 1.4623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -1.5723 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 1.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -1.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 2.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -0.3706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 11 1 0 0 0 0 8 17 3 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$