BU45MK -OEChem-04022105502D 45 48 0 1 0 0 0 0 0999 V2000 12.0920 1.0944 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -0.2717 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.0944 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -2.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4530 3.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.9056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 1.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.4604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.4604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0981 -0.4056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4641 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1424 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1424 2.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 1.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7585 1.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 -0.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 2.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -1.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8913 0.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6798 0.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3086 1.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6183 2.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -3.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 14 2 0 0 0 0 5 7 1 0 0 0 0 5 45 1 0 0 0 0 6 25 2 0 0 0 0 7 14 1 0 0 0 0 7 36 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 1 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 6 0 0 0 10 30 1 0 0 0 0 11 14 1 6 0 0 0 11 31 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 16 33 1 0 0 0 0 17 23 1 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$