D0DT5E -OEChem-04152122302D 42 43 0 1 0 0 0 0 0999 V2000 6.3301 -1.7307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 -2.7693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7693 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9101 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7693 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1373 -0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -1.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -1.2349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -2.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9089 -1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9075 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 -2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -2.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -1.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0736 -2.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8431 -2.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5723 -0.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2986 -0.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7427 -2.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 4 14 2 0 0 0 0 5 18 1 0 0 0 0 5 23 1 0 0 0 0 6 20 1 0 0 0 0 7 19 2 0 0 0 0 8 20 2 0 0 0 0 9 23 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 13 11 1 1 0 0 0 11 19 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 6 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$