D09XXW MDL 03130713402D 1 1.00000 0.00000 0 47 50 0 1 0 999 V2000 5.8125 -1.5167 0.0000 C 0 0 1 0 0 0 0 0 0 3.9750 -2.5792 0.0000 C 0 0 2 0 0 0 0 0 0 5.8125 -2.2292 0.0000 C 0 0 2 0 0 0 0 0 0 4.5875 -2.2292 0.0000 C 0 0 2 0 0 0 0 0 0 5.2000 -2.5792 0.0000 C 0 0 1 0 0 0 0 0 0 6.4875 -1.3042 0.0000 C 0 0 2 0 0 0 0 0 0 2.1250 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 3.9750 -3.2917 0.0000 C 0 0 1 0 0 0 0 0 0 1.5125 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 5.2000 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 4.5875 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 6.4875 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 -3.2917 0.0000 C 0 0 2 0 0 0 0 0 0 3.3542 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 6.9042 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 5.2000 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 6.4875 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 10.1667 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 8.3250 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 3.3542 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9458 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3250 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 4.5875 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 10.7792 -0.2417 0.0000 O 0 5 0 0 0 0 0 0 0 7.1000 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 7.7125 -0.5917 0.0000 O 0 0 0 0 0 0 0 0 0 10.1667 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 8.3250 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 5.8750 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9458 -6.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0.9000 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0.2875 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3250 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 2.7417 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 9.5542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 8.9375 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 3.9667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 2.1250 -2.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0.9000 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0.2875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 11.4250 -0.2542 0.0000 Na 0 3 0 0 0 0 0 0 0 -1.5583 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 5.8125 -2.9292 0.0000 H 0 0 0 0 0 0 0 0 0 3.9667 -4.0042 0.0000 H 0 0 0 0 0 0 0 0 0 5.2000 -1.8667 0.0000 H 0 0 0 0 0 0 0 0 0 4.5792 -2.9417 0.0000 H 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 4 11 1 0 0 0 5 3 1 0 0 0 6 1 1 0 0 0 7 13 1 0 0 0 8 2 1 0 0 0 9 7 3 0 0 0 10 1 1 0 0 0 11 10 1 0 0 0 12 3 1 0 0 0 13 34 1 0 0 0 14 2 1 0 0 0 15 6 1 0 0 0 16 5 1 0 0 0 6 17 1 1 0 0 18 35 1 0 0 0 19 26 1 0 0 0 20 8 1 0 0 0 21 22 1 0 0 0 22 33 1 0 0 0 23 16 1 0 0 0 24 18 1 0 0 0 25 17 1 0 0 0 26 25 1 0 0 0 27 18 2 0 0 0 28 19 2 0 0 0 29 17 2 0 0 0 30 21 2 0 0 0 31 9 1 0 0 0 32 40 1 0 0 0 33 41 2 0 0 0 34 14 1 0 0 0 35 36 1 0 0 0 36 19 1 0 0 0 1 37 1 1 0 0 2 38 1 1 0 0 13 39 1 6 0 0 40 31 2 0 0 0 41 31 1 0 0 0 43 21 1 0 0 0 3 44 1 6 0 0 8 45 1 1 0 0 5 46 1 1 0 0 4 47 1 6 0 0 15 12 1 0 0 0 4 5 1 0 0 0 23 8 1 0 0 0 13 20 1 0 0 0 32 22 2 0 0 0 M CHG 2 24 -1 42 1 M END $$$$