BV80JY -OEChem-04012114472D 41 44 0 1 0 0 0 0 0999 V2000 4.5274 2.7795 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -1.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -2.7795 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4509 -1.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 1.2407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 2.4240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 -1.8321 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7123 0.4559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7328 0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 -0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -0.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4118 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 1.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 -1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 -2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 -2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1227 -0.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -0.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -0.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -1.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1633 1.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 1.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9008 2.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 3.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1423 -2.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5046 -0.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 0.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2515 0.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -2.9737 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 2 15 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 16 2 0 0 0 0 11 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 25 1 0 0 0 0 16 21 1 0 0 0 0 16 28 1 0 0 0 0 17 22 1 0 0 0 0 17 29 1 0 0 0 0 18 23 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 26 2 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$