D0H1VJ -OEChem-10101305022D 43 43 0 1 0 0 0 0 0999 V2000 5.0009 -1.7799 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.1819 -3.5025 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.3630 -5.2251 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.2783 -1.9610 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5411 1.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 -2.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 -2.3677 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8099 -1.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 -4.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0955 -3.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 -3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9508 -6.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -5.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -4.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.2905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.7516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2320 0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8198 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 0.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 0.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 0.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 2.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 2.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3338 -0.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2505 0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 6.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5971 -3.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 -6.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 -5.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 2 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 8 26 2 0 0 0 0 12 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 23 17 1 6 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 26 1 0 0 0 0 18 28 2 0 0 0 0 19 28 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 6 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 27 2 0 0 0 0 25 37 1 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 M CHG 2 4 1 9 -1 M END $$$$