B3W5XE -OEChem-04042102213D 27 27 0 1 0 0 0 0 0999 V2000 -0.6943 1.6257 -0.7941 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 -1.7819 0.3203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 -0.5653 -0.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 0.8029 0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 0.1729 0.4312 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 0.1615 0.7881 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8848 -1.3242 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 -1.4252 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4229 -0.0130 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 0.7485 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9214 0.5465 -0.1451 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5510 1.6862 0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -0.6346 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 0.3481 1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9795 -1.9087 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 -1.7468 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0881 -2.1409 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 -1.7543 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 0.1903 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 0.1693 -1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7826 1.7684 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -0.5264 1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 0.8692 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 1.9969 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 2.5582 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7533 1.3865 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -2.5179 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 1 0 0 0 0 2 27 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$