B61RCQ -OEChem-04022101342D 63 64 0 1 0 0 0 0 0999 V2000 6.8823 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 11.1303 5.4680 0.0000 S 0 3 3 0 0 0 0 0 0 0 0 0 5.0662 7.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4012 3.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4981 3.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 4.8091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8001 6.9680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0322 3.1020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 6.4128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 6.8610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0472 5.1880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 5.5162 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6520 5.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 5.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8768 6.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3982 5.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5322 4.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2642 4.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6662 6.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 5.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6662 5.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 3.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3982 6.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5322 6.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0322 3.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5322 3.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9963 4.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1303 6.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9963 3.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8623 5.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8623 3.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7283 4.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 6.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7283 3.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 4.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 4.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9141 4.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4528 6.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 6.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 5.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8657 4.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6628 4.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8361 7.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 5.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 5.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 5.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9352 6.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5322 7.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 2.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 2.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 2.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 6.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1303 7.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5103 6.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4594 3.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8623 6.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8623 2.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2653 5.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2653 3.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 7.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 5.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 4.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 18 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 22 2 0 0 0 0 5 26 2 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 6 40 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 51 1 0 0 0 0 9 20 1 0 0 0 0 9 33 2 0 0 0 0 10 33 1 0 0 0 0 10 60 1 0 0 0 0 10 61 1 0 0 0 0 11 33 1 0 0 0 0 11 62 1 0 0 0 0 11 63 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 20 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 32 2 0 0 0 0 30 56 1 0 0 0 0 31 34 2 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 34 59 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$