BN6EI5 -OEChem-04012116052D 46 45 0 1 0 0 0 0 0999 V2000 4.3005 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 7.8781 8.8931 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6010 9.0712 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3005 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3435 7.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 7.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 9.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 8.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 9.4795 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4645 8.0831 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2917 9.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 5.8708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0812 4.2613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.0660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.5660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.0660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 6.8213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8055 7.6313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3947 8.4393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3452 8.1286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1552 8.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 5.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 3.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 6.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 8.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 8.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 7.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 9.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 9.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 5.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 8.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 9.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7781 3.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3713 2.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 2.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9771 2.9767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4983 3.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 19 6 1 6 0 0 0 6 37 1 0 0 0 0 20 7 1 6 0 0 0 7 38 1 0 0 0 0 8 22 1 0 0 0 0 9 27 2 0 0 0 0 18 13 1 1 0 0 0 13 23 1 0 0 0 0 13 24 2 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 23 1 0 0 0 0 15 28 2 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 41 1 0 0 0 0 17 28 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 1 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 24 36 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 M CHG 6 1 -1 3 1 4 1 10 -1 11 -1 13 1 M END $$$$