B4PXW2 -OEChem-04012114462D 37 37 0 0 0 0 0 0 0999 V2000 8.0622 0.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 22 1 0 0 0 0 7 37 1 0 0 0 0 8 22 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$