BVN3T6 -OEChem-04022106233D 41 44 0 0 0 0 0 0 0999 V2000 -1.4702 3.5466 -0.8229 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4885 -1.5491 -1.1911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 -2.0041 -0.6763 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2454 1.6563 -0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 0.6552 0.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 2.6829 -0.0283 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 3.5927 -0.3995 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9198 0.9767 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 2.3954 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5946 1.5315 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 -0.1367 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0783 2.9591 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 0.3010 0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 -1.3494 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 0.0483 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.2642 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 -0.3218 1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5974 -2.3769 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8433 -1.4524 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0568 -0.9793 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5215 -1.5100 2.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7982 -2.1918 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 -2.0753 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -2.8195 -1.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 -1.3152 -1.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4839 2.4435 -0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 2.7187 1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3385 0.9710 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 0.2590 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 0.1060 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4671 -3.3449 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9896 -0.8375 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -1.9943 3.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5322 -2.9917 0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -3.0009 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3305 -2.8027 -2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0535 -2.9928 -2.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2826 -3.6301 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8767 -1.8938 -2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5213 -0.3229 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -1.2758 -2.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$