BU3ZH9 -OEChem-04022100372D 47 48 0 1 0 0 0 0 0999 V2000 3.6292 4.1614 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0963 5.4963 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 5.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4963 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4963 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4963 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.6944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 1.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3651 1.9376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9641 3.6944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5876 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1469 1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 4.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4252 1.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 3.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 2.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 1.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 4.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 4.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 0.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 24 1 0 0 0 0 5 26 1 0 0 0 0 6 28 1 0 0 0 0 7 17 2 0 0 0 0 8 16 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 35 1 0 0 0 0 19 11 1 6 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 14 33 1 0 0 0 0 15 21 1 1 0 0 0 15 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 27 2 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$