B3LJI6 -OEChem-04022102232D 30 32 0 0 0 0 0 0 0999 V2000 5.2531 3.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 0.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 1.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 2.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 2.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7716 3.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 12 2 0 0 0 0 7 19 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 9 14 2 0 0 0 0 9 21 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END $$$$