BBO4A3 -OEChem-04012118512D 44 46 0 1 0 0 0 0 0999 V2000 4.6456 0.7478 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 3.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 2.1491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.4909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3092 1.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 2.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 0.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 2.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 3.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5349 -1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1172 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5295 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 4.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 0.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9108 1.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 2.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 3.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 2.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0749 0.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 3.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 -1.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7338 -0.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7816 -1.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 5.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9686 4.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 26 1 0 0 0 0 3 44 1 0 0 0 0 4 26 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 22 2 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 2 0 0 0 0 21 39 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$