HMDB0255576 RDKit 3D Nialamide 40 41 0 0 0 0 0 0 0 0999 V2000 -1.0980 1.4861 1.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 1.4797 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1522 1.1440 -1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 1.5035 -0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 0.9882 0.5028 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 0.3591 0.3165 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8196 -0.1861 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7941 -0.1655 2.4379 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9346 -0.9068 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1252 -0.4489 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 -1.2471 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6229 -2.5050 -0.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4491 -3.0230 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 -2.2396 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 1.7958 -0.7664 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 2.0656 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 0.7864 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8553 0.8284 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6342 -0.3268 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0341 -1.5334 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6637 -1.6076 0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9084 -0.4433 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 1.4122 -2.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.0430 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 2.6438 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 1.1901 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0838 0.4854 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 0.3194 -0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4506 0.5644 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9968 -0.8992 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 -4.0426 -0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 -2.6571 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 1.8473 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5545 2.5503 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3273 2.7808 -0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3477 1.7689 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7021 -0.2089 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6323 -2.4338 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1961 -2.5743 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8019 -0.5072 0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 2 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 14 9 1 0 22 17 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 16 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 M END