B8B5KO -OEChem-04022106412D 37 39 0 1 0 0 0 0 0999 V2000 4.4026 -1.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -2.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 -3.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 -0.6537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 0.2132 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 1.9072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 1.0801 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.9405 -0.6554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 -1.6554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -1.9660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 0.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 0.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 -2.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5889 0.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 -2.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -2.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8379 0.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4385 0.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6579 0.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 -3.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 -3.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 -2.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 1.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 13 2 1 6 0 0 0 2 31 1 0 0 0 0 3 17 1 0 0 0 0 3 34 1 0 0 0 0 4 7 2 0 0 0 0 11 4 1 6 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 6 22 2 0 0 0 0 7 10 2 0 0 0 0 8 21 2 0 0 0 0 8 22 1 0 0 0 0 9 21 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 6 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 17 1 1 0 0 0 14 25 1 0 0 0 0 15 18 2 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 2 7 1 10 -1 M END $$$$