D0K5OT -OEChem-04152122302D 41 42 0 1 0 0 0 0 0999 V2000 9.2365 1.4781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1854 -2.7852 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.5715 -0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 -1.8342 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5236 -1.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 0.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 0.1691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 1.8818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 1.1691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8242 0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -0.1400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2771 1.1732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2771 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 1.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -1.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 2.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 2.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 0.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 1.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 1.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -0.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -0.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 2.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 2.6881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6385 2.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 3.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 0.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 2.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 0.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 1.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 3 13 2 0 0 0 0 4 16 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 12 8 1 1 0 0 0 8 17 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 6 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 6 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$