BNA2B7 -OEChem-04022108573D 28 29 0 0 0 0 0 0 0999 V2000 -4.2528 0.6773 -0.2112 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 -2.3963 -0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 -2.9124 -0.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9096 0.4132 1.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 2.0985 -0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7857 -0.3167 -1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2276 1.6848 -1.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0602 1.3720 0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 -0.7372 0.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 -0.1687 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -0.0576 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 -1.1836 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 1.1201 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 0.3319 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 -2.0778 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0786 -0.9648 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 0.5249 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 1.3656 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 1.2268 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3979 0.7178 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 -0.7854 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 1.9172 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7355 -1.7791 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6513 1.2504 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5326 -0.2766 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0384 2.3722 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 0.9911 1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0711 2.1383 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 15 2 0 0 0 0 4 27 1 0 0 0 0 7 19 1 0 0 0 0 7 28 1 0 0 0 0 8 19 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 13 18 2 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 M END $$$$