BWUP40 -OEChem-04022115323D 41 42 0 0 0 0 0 0 0999 V2000 -2.7704 0.4338 -1.2552 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 0.6326 1.2182 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2422 -1.6839 -0.1166 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9817 -0.3996 1.7512 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8435 1.5404 -2.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1476 0.6221 -0.3329 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 2.6080 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3023 1.9376 0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 1.8083 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5027 4.0375 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -0.3077 0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -1.4672 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 -0.0980 1.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 -1.0477 0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9778 -2.4169 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 -2.2073 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 -0.8283 1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0742 -0.2206 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 -1.8300 -1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4924 -0.0310 0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 -2.0464 -1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 0.9645 -1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 2.6396 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 2.5222 1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 1.8988 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1066 1.6783 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7851 0.8176 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5311 2.3167 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0247 4.0552 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4743 4.5354 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 4.6265 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1122 0.8024 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2653 -3.3346 -0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0985 -2.9591 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 -1.2051 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 -2.6900 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -0.9248 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6221 -1.2067 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -2.9437 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3613 -2.1569 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1348 0.8447 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$