BL3SC1 -OEChem-04012116052D 47 46 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 9.6985 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6010 9.8766 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 7.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 8.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 10.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 9.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 10.2849 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4645 8.8885 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2917 10.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 6.6762 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0812 5.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.8714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.3714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.8714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 7.6267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8055 8.4367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3947 9.2447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3452 8.9340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1552 9.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 5.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 4.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 3.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 7.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 7.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 9.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 8.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 10.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 9.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 5.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 8.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 10.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7781 4.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3713 3.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 4.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2877 2.8316 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 38 1 0 0 0 0 20 7 1 6 0 0 0 7 39 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 42 1 0 0 0 0 17 28 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 1 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 29 30 2 0 0 0 0 29 43 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 M CHG 6 1 -1 3 1 4 1 10 -1 11 -1 13 1 M END $$$$