B6PM4E -OEChem-04042104433D 23 23 0 0 0 0 0 0 0999 V2000 -5.1667 -0.5977 0.5662 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -0.5894 1.0273 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7046 0.0883 -1.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.1427 0.0046 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1267 1.7314 -0.1568 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9739 -2.4730 -0.7746 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0585 0.6022 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 0.1056 1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 0.8521 -1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 0.1087 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9727 -0.1411 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0262 0.6053 -1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 0.8583 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 -0.0325 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8955 0.4029 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -1.3783 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0589 -0.0938 2.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 1.2393 -1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 -0.5278 2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5489 0.8116 -2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 1.8618 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4228 2.3750 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0612 2.1158 -0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 5 15 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 16 3 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 19 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 15 1 0 0 0 0 14 16 1 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$