BU95EF -OEChem-04022105093D 32 34 0 0 0 0 0 0 0999 V2000 -2.1572 -0.8080 1.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -2.5130 0.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 2.9971 1.1104 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4179 3.0707 -1.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 0.4307 -0.4029 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9896 -1.9430 -0.3933 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -2.3903 -0.1605 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3306 2.4854 0.0433 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9359 0.4314 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7111 1.5488 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6418 1.4824 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5192 -0.8826 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -0.1993 0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 -0.1332 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5085 -1.2966 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 1.1103 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8851 -1.2494 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5056 0.0164 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7431 1.1869 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8913 0.0646 -0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 -1.1091 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 -2.3002 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6617 1.3231 -1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 2.3390 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0396 2.2270 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5456 1.2119 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0674 0.8997 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 2.0183 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 1.0048 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6881 -1.0907 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -2.4058 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 -3.2497 -0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 1 0 0 0 0 2 31 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 27 1 0 0 0 0 6 12 3 0 0 0 0 7 17 1 0 0 0 0 7 22 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$