BOW8X3 -OEChem-04012120362D 43 44 0 1 0 0 0 0 0999 V2000 5.4641 -0.6956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8044 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.9641 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8044 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 2.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4889 -2.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3384 -0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3384 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -1.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8168 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -3.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 -3.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2616 -3.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6433 -0.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 -1.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9568 -3.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6656 -3.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -4.4030 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 12 1 0 0 0 0 1 16 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 7 14 2 0 0 0 0 8 21 1 0 0 0 0 9 21 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 22 1 0 0 0 0 11 27 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 6 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 22 23 2 0 0 0 0 23 26 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 2 4 1 8 -1 M END $$$$