BS1X3B -OEChem-04012115522D 45 47 0 0 0 0 0 0 0999 V2000 3.7320 -0.5289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 2.6655 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9192 0.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.3336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 0.2264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 0.4326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 1.9212 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5190 3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1653 2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4975 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9977 -3.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7796 -3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1763 -3.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 -2.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2687 1.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1049 3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7720 2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6901 3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 41 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$