BO3FU5 -OEChem-04022105503D 51 53 0 1 0 0 0 0 0999 V2000 2.1941 2.6767 -0.2503 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9647 -0.8303 0.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 2.4167 -0.8967 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 3.8788 -0.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -2.6607 -0.3807 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 1.3203 -0.4713 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.7659 -1.2502 0.2864 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 -0.9639 0.3401 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 0.0140 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 1.5416 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 -1.8988 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 -3.3082 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 -1.5861 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6261 -0.2466 0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6034 -1.0089 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 -3.2437 -1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 -0.3038 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9725 0.8611 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 0.2912 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 -2.3809 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8836 1.9103 0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 -2.5727 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 -2.2860 0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2619 3.0008 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 2.5653 1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1409 4.0640 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 1.7363 0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 2.3898 -0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2345 -3.8333 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 -3.8422 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 -0.7324 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 0.1626 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6925 -4.2494 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 -2.8092 -2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 0.3852 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 1.3396 -0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4648 0.4290 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3277 0.0572 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4761 0.4327 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 1.4286 0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 2.3607 1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 -3.5703 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 -3.0640 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3556 3.4750 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7927 2.5576 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9073 2.6249 2.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 3.4245 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 1.6547 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4001 4.8332 -0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0710 3.6281 0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6248 4.5505 1.0103 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 6 1 0 0 0 0 1 25 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 5 20 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 11 2 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 10 19 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$