D0D9NQ -OEChem-04152108492D 44 45 0 0 0 0 0 0 0999 V2000 6.5991 5.3507 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3475 1.3161 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 8.6746 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.5991 6.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 5.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 5.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3474 1.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3476 1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.3507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.8507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 2.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3591 2.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3591 4.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2652 2.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2652 3.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3519 5.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 4.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8009 2.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8009 4.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8693 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 3.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 3.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 15 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 16 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 23 1 0 0 0 0 12 27 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 16 21 2 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 22 2 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 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 37 1 0 0 0 0 26 28 2 0 0 0 0 26 38 1 0 0 0 0 27 28 1 0 0 0 0 28 39 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 1 3 1 M END $$$$