BU2YF4 -OEChem-04012116452D 85 85 0 1 0 0 0 0 0999 V2000 9.7942 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 3 22 2 0 0 0 0 4 26 2 0 0 0 0 7 33 2 0 0 0 0 16 8 1 1 0 0 0 8 22 1 0 0 0 0 8 52 1 0 0 0 0 15 9 1 1 0 0 0 9 26 1 0 0 0 0 9 55 1 0 0 0 0 20 10 1 1 0 0 0 10 33 1 0 0 0 0 10 67 1 0 0 0 0 11 32 1 0 0 0 0 11 79 1 0 0 0 0 11 80 1 0 0 0 0 12 13 2 0 0 0 0 34 12 1 1 0 0 0 13 14 2 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 24 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 25 58 1 0 0 0 0 27 32 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 76 1 0 0 0 0 35 36 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 81 1 0 0 0 0 38 40 2 0 0 0 0 38 82 1 0 0 0 0 39 41 2 0 0 0 0 39 83 1 0 0 0 0 40 41 1 0 0 0 0 40 84 1 0 0 0 0 41 85 1 0 0 0 0 M CHG 2 13 1 14 -1 M END $$$$