BH3E9B -OEChem-04022102022D 43 46 0 0 0 0 0 0 0999 V2000 2.6691 0.2749 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.1816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 2.1374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -4.3530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 3.3398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 3.7466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -2.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 3.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -3.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 3.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -0.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 -1.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 3.0498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 3.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 2.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -4.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 -2.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1592 4.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 -4.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 2.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 3.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 3.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 16 1 0 0 0 0 4 23 2 0 0 0 0 5 15 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 23 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 15 20 2 0 0 0 0 17 22 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 24 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$