BC58JS -OEChem-04012117002D 44 44 0 0 0 0 0 0 0999 V2000 8.5991 3.8700 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8301 0.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 1.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.1200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3700 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4651 4.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 4.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 3.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.1200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8660 1.1200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1962 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 4.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 3.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 3.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 4.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 42 1 0 0 0 0 6 13 1 0 0 0 0 7 13 2 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 24 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 23 2 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 25 2 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 26 35 1 0 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 M CHG 4 6 -1 8 -1 12 1 13 1 M END $$$$