LJ21ST -OEChem-05022321282D 40 42 0 1 0 0 0 0 0999 V2000 5.9405 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 3.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 3.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 2.0738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.8383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.5884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.2064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.8958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.1492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 3.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 1.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 3.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 3.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7640 2.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1343 3.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 6 0 0 0 2 28 1 0 0 0 0 14 3 1 6 0 0 0 3 29 1 0 0 0 0 4 16 2 0 0 0 0 13 5 1 1 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 31 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 17 2 0 0 0 0 8 23 1 0 0 0 0 9 21 1 0 0 0 0 9 23 2 0 0 0 0 10 21 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 22 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 1 0 0 0 15 27 1 0 0 0 0 17 19 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$