B54MQD -OEChem-04022105182D 68 69 0 0 0 0 0 0 0999 V2000 2.0000 -3.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4344 5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 5 35 1 0 0 0 0 5 37 1 0 0 0 0 6 36 1 0 0 0 0 6 38 1 0 0 0 0 7 27 2 0 0 0 0 8 28 2 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 9 55 1 0 0 0 0 10 22 1 0 0 0 0 10 28 1 0 0 0 0 10 56 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 14 67 1 0 0 0 0 14 68 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 23 2 0 0 0 0 17 25 1 0 0 0 0 18 24 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 30 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 31 1 0 0 0 0 23 47 1 0 0 0 0 24 32 1 0 0 0 0 24 48 1 0 0 0 0 25 33 2 0 0 0 0 25 49 1 0 0 0 0 26 34 2 0 0 0 0 26 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 35 2 0 0 0 0 32 36 2 0 0 0 0 33 35 1 0 0 0 0 33 57 1 0 0 0 0 34 36 1 0 0 0 0 34 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 M END $$$$