HMDB0302015 RDKit 3D 2'',6''-O-Diacetyloninin 27 28 0 0 0 0 0 0 0 0999 V2000 -3.1245 -0.7511 -0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 0.6141 -0.6099 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0815 0.9436 -1.8459 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 0.9782 0.5270 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5064 2.3983 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 0.3481 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6952 1.1270 0.3794 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 0.7466 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 1.7130 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 1.2727 0.1553 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5824 -0.0439 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6053 -0.9683 0.2258 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -0.6047 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2404 -1.4977 0.3805 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 -1.1022 0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8042 -1.2045 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8865 -1.4728 -1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2483 -0.7352 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4776 1.3196 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 0.1038 -2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 0.7260 1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4184 2.7002 -0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 2.7761 0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6225 -0.3412 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4649 -2.5346 0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 -1.5847 -0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 -1.5280 1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 6 1 0 13 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 1 3 20 1 0 4 21 1 1 5 22 1 0 9 23 1 0 11 24 1 0 14 25 1 0 15 26 1 0 15 27 1 0 M END