BA05VB -OEChem-04022101592D 21 22 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 4.6783 0.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.7498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2498 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 5.2619 -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 4.9889 1.0055 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 2.0000 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.2117 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 0.8702 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 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 6.0953 0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 1.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 14 3 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END $$$$