B2E5KM -OEChem-04042102493D 40 42 0 0 0 0 0 0 0999 V2000 -2.1071 1.7303 -0.6897 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9241 1.6810 -1.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4684 2.6264 0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 1.9825 -1.1449 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 -0.0950 -1.4094 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.8646 -2.2549 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0567 0.0866 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 1.7560 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 0.7099 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 0.5293 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8553 -1.0186 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -0.0908 1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 2.6103 0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9866 -2.4789 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 -2.3014 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 -0.5235 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 1.3886 1.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -1.3735 1.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 -1.3546 -0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.4267 1.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 -1.0997 -1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9492 -3.8499 1.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2326 -2.4770 -0.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 1.6882 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3779 0.7490 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 3.4377 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6639 -3.1646 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -0.6936 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2767 1.2543 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 -1.4988 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 3.0913 2.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 -1.7114 -2.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -3.8288 2.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -4.4962 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9482 -4.2964 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -1.6810 -2.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7047 0.0487 -2.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -3.3646 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -2.7317 -1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2311 -2.2107 -0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 5 9 1 0 0 0 0 5 21 2 0 0 0 0 6 11 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 12 18 2 0 0 0 0 12 25 1 0 0 0 0 13 20 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 27 1 0 0 0 0 16 19 2 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$