BVUR94 -OEChem-04022114203D 53 55 0 1 0 0 0 0 0999 V2000 3.1081 1.7690 -0.5464 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -1.0727 -0.8515 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 2.4980 -1.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 2.0324 0.6708 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 -1.9110 1.8865 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 -0.5197 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 -3.1063 -1.2211 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 0.0974 -0.8679 N 0 0 1 0 0 0 0 0 0 0 0 0 2.9844 -0.8354 0.2829 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4897 -1.5667 -1.4142 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3974 -2.1049 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 -0.4020 -1.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -1.0493 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 2.0049 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9307 1.8756 1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 2.3194 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7619 -1.9534 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 2.0608 1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 2.5046 -0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 2.3754 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5412 -2.2066 2.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 -1.2661 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7597 2.5741 0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1636 -1.6142 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3936 -0.9992 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -0.3042 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5903 -1.1122 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5253 0.2779 1.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7545 -0.5303 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7221 0.1649 0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4307 1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2871 -2.3089 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 -2.6917 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -2.7359 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 0.3515 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -0.7642 -2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 1.6378 1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8392 2.4436 -2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7691 1.9584 2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 2.7531 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2187 -2.6839 1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 -1.2931 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3536 -2.9008 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7022 -0.4806 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 2.0611 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9983 3.6426 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0197 2.2047 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 -2.3920 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4594 -0.2203 1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6341 -1.6492 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5019 0.8133 2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6865 -0.6182 -0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6289 0.6168 1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 13 2 0 0 0 0 7 17 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$