BHQO46 -OEChem-04022106592D 46 49 0 0 0 0 0 0 0999 V2000 14.2122 1.9674 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0161 -1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0161 1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7122 2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7122 1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3462 2.4674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 -2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 -3.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7908 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6218 -1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4859 -1.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7481 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0161 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2561 -1.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2561 1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 -0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4802 1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7481 1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6141 0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6141 2.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4802 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0782 1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 -2.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 -3.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 -3.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -1.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 -1.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2633 -1.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2633 1.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8143 0.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4190 -0.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2112 2.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6141 -0.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6141 3.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0171 0.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3462 3.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7682 0.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6152 1.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3882 2.0043 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 7 1 0 0 0 0 1 28 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 18 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 0 0 0 0 7 23 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 3 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 13 21 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 22 2 0 0 0 0 16 19 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$