BNL39O -OEChem-04012118252D 27 29 0 0 0 0 0 0 0999 V2000 7.5673 2.5344 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9244 0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.5838 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 2.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8029 2.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 19 2 0 0 0 0 6 14 2 0 0 0 0 6 19 1 0 0 0 0 7 14 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 M CHG 2 1 -1 8 1 M END $$$$