B3X1LZ -OEChem-04022101562D 28 29 0 0 0 0 0 0 0999 V2000 6.4712 1.8344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 1.5556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 -0.1080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 0.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8020 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6942 -2.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2313 1.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 0.2955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9712 0.2955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 1.0944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -1.4929 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9744 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9255 1.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2802 1.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 1.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6197 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 0.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4859 0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2655 0.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4140 1.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6344 1.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3602 2.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2093 1.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4281 1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8732 0.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 17 19 2 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$