D0P7JE -OEChem-10101305032D 21 20 0 1 0 0 0 0 0999 V2000 4.5981 0.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 7 6 1 1 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M CHG 1 4 -1 M END $$$$