BL79VU -OEChem-04022101102D 46 48 0 0 0 0 0 0 0999 V2000 4.6783 -2.5918 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 2.4073 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -3.4621 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0406 -0.8930 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -3.7409 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 3.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 3.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 1.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.9824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -2.1531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -1.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -3.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -1.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8323 -1.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -0.3239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 0.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 1.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 0.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 1.3710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 2.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -1.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -3.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4564 -1.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6638 -1.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 3.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -2.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3987 -1.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7675 -0.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 15 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 24 2 0 0 0 0 5 26 2 0 0 0 0 6 43 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$