BX7QA5 -OEChem-04012117392D 40 43 0 0 0 0 0 0 0999 V2000 7.1962 -2.3282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -1.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -2.1329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9654 -0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2149 1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5039 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3795 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4269 0.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5478 2.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1330 2.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 22 2 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$