B78XTR -OEChem-04022104313D 40 43 0 0 0 0 0 0 0999 V2000 -5.7439 -2.4464 -0.1744 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9208 -0.2679 -0.3806 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1564 -1.8099 0.5001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 0.5167 0.2716 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 1.4780 -0.0423 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -1.8892 -0.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -1.2024 -0.5066 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 -1.3026 -0.2186 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0687 -0.8982 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3025 -0.6943 0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 0.2535 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 1.5431 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -2.1735 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2284 0.0895 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8222 -1.1753 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4915 -2.0512 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 2.8574 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0365 -2.3083 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 -3.2703 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 -3.1337 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 3.9630 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 3.0254 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5527 -4.0433 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4643 5.2366 0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 4.2989 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7606 5.4046 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 -3.0830 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 -2.5280 1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 0.9842 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -3.3079 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7188 -4.1308 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 3.8645 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 2.1856 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 -1.4452 -1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 -4.9905 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4023 -3.5953 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8621 -4.2681 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1026 6.0974 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4987 4.4304 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 6.3962 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 3 28 1 0 0 0 0 4 10 2 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 34 1 0 0 0 0 7 16 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 22 25 2 0 0 0 0 22 33 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 2 1 -1 8 1 M END $$$$