BJ5ET7 -OEChem-04022107302D 51 53 0 1 0 0 0 0 0999 V2000 8.4993 -3.4849 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 1.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5487 -3.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4498 -3.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 -1.2520 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1456 -2.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.5234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 -1.9963 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2619 3.4354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 -2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 -1.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8099 -4.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 2.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 4.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 4.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 3.4354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 4.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 1.5613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 2.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1488 0.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 -0.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 -0.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2928 -1.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 -2.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2206 -4.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0025 -5.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3992 -4.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 25 1 0 0 0 0 1 30 1 0 0 0 0 2 16 2 0 0 0 0 3 22 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$