BKZ4T1 -OEChem-04042104503D 43 44 0 0 0 0 0 0 0999 V2000 4.8723 1.8997 -0.1381 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.9499 0.8147 1.2088 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.6839 -0.5150 1.2359 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.2456 0.6316 -0.5722 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 0.4761 0.2053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 1.9422 -1.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 3.0735 0.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8971 -1.1256 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6685 -1.1516 0.9111 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 -3.6963 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6326 0.5582 0.5987 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5962 -2.8709 -0.1967 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1813 1.4766 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4784 0.8056 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 0.7587 -1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 1.8592 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3934 -0.2563 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 0.4231 -0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 1.5238 1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -0.4866 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4550 -0.7867 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 -1.4422 0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 0.2543 -1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6237 -1.6572 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 0.0394 -1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5695 -0.9164 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 -1.5979 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6857 -0.0341 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 0.4478 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 2.4128 1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 0.6000 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -1.2342 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 0.3013 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -0.1402 -1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5035 1.8229 2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5951 -1.2715 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 -0.7432 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -2.0245 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 1.0032 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9411 -2.4024 1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8804 0.6190 -1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -3.3012 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1726 -3.5685 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 8 26 1 0 0 0 0 8 28 1 0 0 0 0 9 27 2 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 11 21 1 0 0 0 0 11 31 1 0 0 0 0 12 27 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 27 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$