BU8VI7 -OEChem-04022106562D 46 49 0 1 0 0 0 0 0999 V2000 8.3827 -2.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -0.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -1.1839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2888 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 0.4253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8907 -0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2888 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3827 -0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2887 -2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7854 -3.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -2.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4061 0.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 0.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 0.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8245 -0.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3755 -0.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2864 -2.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9087 -2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2911 -1.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2473 -3.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0933 -3.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3235 -2.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 -2.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -3.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 0.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 2.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 3.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 3.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 0.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0257 1.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1788 1.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 12 1 0 0 0 0 3 25 1 0 0 0 0 4 8 2 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$