BU0H5P -OEChem-04012115253D 31 33 0 0 0 0 0 0 0999 V2000 4.6970 0.6946 -0.2949 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1635 -1.9587 -0.5305 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 0.9077 -0.3539 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -1.6098 2.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.9901 0.0456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -0.7477 1.9289 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5165 -1.5735 -0.2231 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 0.3756 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 1.2636 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 1.8520 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 -0.7119 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 2.4147 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 2.8009 0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 0.6220 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 1.8046 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 0.6909 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7597 -1.5531 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -0.2190 -2.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3355 -1.3066 -1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -0.6950 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1827 -1.0056 1.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7822 -1.0557 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 2.9201 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 3.6660 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5867 1.4647 -2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 2.7699 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1052 -2.4174 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -0.0280 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1132 -1.9633 -1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 -2.5761 -0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 -1.8039 3.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 22 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 21 1 0 0 0 0 4 31 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 20 1 0 0 0 0 7 22 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 18 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$