B3W5XE -OEChem-04022106002D 27 27 0 1 0 0 0 0 0999 V2000 4.7770 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7985 1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.7934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 0.1545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.2056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3090 0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 -0.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4712 -1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -0.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 0.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 0.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 0.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 0.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8648 -1.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6001 -1.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0776 -1.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 0.6205 0.0000 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 11 5 1 6 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 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 $$$$