BB80MQ -OEChem-04022101332D 58 59 0 1 0 0 0 0 0999 V2000 8.2700 6.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0010 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 7.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 7.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 10.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 9.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4231 7.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 8.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4871 9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 13.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 58 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 9 2 0 0 0 0 4 18 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 14 17 2 0 0 0 0 14 43 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 20 24 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$