BX3I0E -OEChem-04022105022D 39 41 0 0 0 0 0 0 0999 V2000 5.9674 2.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -2.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 2.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -2.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -3.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -2.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 3.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 3.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -0.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 -3.4385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1488 -2.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 -3.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -0.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5311 -2.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 3.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 3.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3845 2.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8633 3.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1288 3.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 18 21 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$