B3UTJ7 -OEChem-04012115492D 30 31 0 0 0 0 0 0 0999 V2000 5.4641 -0.8776 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -0.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 1.3776 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.6065 0.4271 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6065 -1.1824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M CHG 2 3 -1 4 1 M END $$$$