B90PDG -OEChem-04022101342D 42 41 0 1 0 0 0 0 0999 V2000 9.1360 4.3700 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.0010 5.1200 0.0000 S 0 3 3 0 0 0 0 0 0 0 0 0 1.4030 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1350 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 6.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 5.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 39 1 0 0 0 0 5 16 2 0 0 0 0 6 11 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$