BMI9A4 -OEChem-04012118132D 43 45 0 1 0 0 0 0 0999 V2000 7.0468 -1.7307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.2307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.2638 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.7693 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.6267 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.7693 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9128 1.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 -0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.2307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 -1.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2653 -2.1383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0412 -2.7693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6241 -1.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8809 -2.2263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 -1.2349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 -0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5932 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 -2.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 -1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 2.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1311 -2.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6821 -1.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 -1.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 -1.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 -2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 0.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 0.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7902 -2.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5597 -2.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 -0.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 2.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 2.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 2.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 3 29 1 0 0 0 0 5 19 2 0 0 0 0 6 24 1 0 0 0 0 7 24 2 0 0 0 0 8 25 2 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 18 10 1 1 0 0 0 10 25 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 27 2 0 0 0 0 14 15 1 0 0 0 0 14 28 2 0 0 0 0 16 29 2 0 0 0 0 17 18 1 0 0 0 0 17 31 1 6 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 25 26 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 30 41 1 0 0 0 0 30 42 1 0 0 0 0 30 43 1 0 0 0 0 M CHG 2 4 1 6 -1 M END $$$$