B45NAS -OEChem-04012119102D 27 29 0 0 0 0 0 0 0999 V2000 4.3211 -1.7498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -0.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 2.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 0.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 7 18 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$