BRUJ39 -OEChem-04012120362D 37 38 0 1 0 0 0 0 0999 V2000 6.8671 -0.8530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8139 -2.8095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.6470 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3671 -1.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -1.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 1.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6470 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0010 2.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3530 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7414 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1862 -2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2519 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 -3.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2676 -3.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -0.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0462 -0.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -2.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8196 -3.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4886 -4.2263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 6 15 2 0 0 0 0 7 20 1 0 0 0 0 8 20 2 0 0 0 0 9 26 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 26 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 21 23 2 0 0 0 0 22 26 1 0 0 0 0 22 32 1 0 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 24 25 2 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 M CHG 2 3 1 7 -1 M END $$$$