B94MDF -OEChem-04012119242D 41 44 0 0 0 0 0 0 0999 V2000 7.1962 -2.5344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5867 1.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -1.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -2.3391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 1.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8974 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7116 -0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5478 2.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1330 2.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 2.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0900 3.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3081 2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 28 1 0 0 0 0 15 20 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 17 31 1 0 0 0 0 18 23 2 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$