D07TAS -OEChem-02041521362D 38 39 0 0 0 0 0 0 0999 V2000 6.4103 -1.6922 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7727 0.0065 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.7210 0.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.7535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 -0.9445 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 10.0817 -2.5626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 -1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 -2.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 1.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6598 1.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 2.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 1.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 2.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5564 3.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7745 2.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2025 0.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -2.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 22 2 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 23 2 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 13 17 1 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 21 2 0 0 0 0 17 27 1 0 0 0 0 18 21 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$