BO8BI7 -OEChem-04022107082D 43 45 0 1 0 0 0 0 0999 V2000 9.2564 -1.4782 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.5077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8551 -2.2873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.3583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7619 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4643 -2.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 -2.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 0.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 1.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 1.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -1.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -0.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 2.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 2.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 3.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 3.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 2.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0307 -2.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5335 -3.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 4 41 1 0 0 0 0 5 20 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$