BTXF40 -OEChem-04022111013D 30 31 0 1 0 0 0 0 0999 V2000 -2.3187 -2.7922 -0.5624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -2.5302 1.4994 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 2.4412 0.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2143 2.7607 0.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 0.2444 -1.1841 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 0.0414 -0.5654 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2455 -0.3347 0.4468 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4353 -1.4006 -0.3607 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1536 0.5184 -0.1388 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6812 -0.0475 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 -2.2900 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 2.0083 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 1.2372 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -1.0625 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 1.5070 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 -0.7929 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 0.4920 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.5067 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 -0.2454 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0761 -1.8575 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 0.0333 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0653 0.5288 -0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 -0.7607 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5289 2.0352 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1775 -2.0780 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -3.3816 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9202 2.5071 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5439 -1.5843 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 0.7015 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 3.4061 0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 26 1 0 0 0 0 2 11 2 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$