B2XE9F -OEChem-04012116052D 43 42 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 8.6695 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6010 8.8475 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 6.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 7.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 9.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 8.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 9.2558 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4645 7.8594 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2917 9.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 5.6471 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0812 4.0376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.8424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.3424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 6.5976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8055 7.4077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3947 8.2157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3452 7.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1552 8.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 4.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 6.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 7.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 8.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 7.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 9.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 8.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 4.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 7.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 9.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 2.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5845 2.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9812 3.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.4624 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 36 1 0 0 0 0 20 7 1 6 0 0 0 7 37 1 0 0 0 0 8 22 1 0 0 0 0 9 26 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 27 1 0 0 0 0 15 23 1 0 0 0 0 15 28 2 0 0 0 0 16 26 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 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 1 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 6 1 -1 3 1 4 1 10 -1 11 -1 13 1 M END $$$$