BKT3E8 -OEChem-04022101502D 38 40 0 1 0 0 0 0 0999 V2000 6.3092 -3.1012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 2.4920 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3092 -3.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 -3.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 2.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 3.8933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6753 2.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.8988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3092 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3357 0.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2829 0.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7579 1.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1502 2.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2003 2.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 2.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -1.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -1.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6892 -4.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -4.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -4.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 4.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 14 2 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 32 1 0 0 0 0 8 20 2 0 0 0 0 8 23 1 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 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 23 38 1 0 0 0 0 M END $$$$