B89PUQ -OEChem-04012118552D 32 33 0 1 0 0 0 0 0999 V2000 5.0768 3.3725 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 -2.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 0.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.3725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -2.9754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 1.8725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -2.8709 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7663 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.5768 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0768 -0.6275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2678 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1646 -2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 -2.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -0.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 -0.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 -2.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6074 -3.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 -3.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 2.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5236 -3.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 2.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 2.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 1.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 16 2 0 0 0 0 11 5 1 6 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 10 6 1 1 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 6 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M CHG 2 8 1 9 -1 M END $$$$