B6PQX3 -OEChem-04022103112D 45 48 0 0 0 0 0 0 0999 V2000 6.2619 -1.5289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.3949 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.4326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -3.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -3.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -3.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 1.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 1.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -3.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -0.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -3.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -2.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 19 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$