HMDB0255496 RDKit 3D Nebicapone 31 32 0 0 0 0 0 0 0 0999 V2000 0.9698 0.7380 -1.6651 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 0.2268 -0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0921 -0.3785 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 -0.2795 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 -1.2700 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 -1.1858 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 -0.1013 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 0.8833 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2834 0.8043 0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 0.2574 -0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 0.8107 -1.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2662 0.8299 -1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9781 1.4035 -2.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9079 0.2617 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2622 0.2103 -0.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1649 -0.3154 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 -0.9000 1.5411 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2581 -1.8086 2.1645 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0503 -0.4759 1.9269 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.7940 -0.2991 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 0.2389 1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.3975 0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -2.1347 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1456 -1.9595 -1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3829 -0.0223 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 1.7538 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 1.6120 1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 1.2552 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9775 1.4013 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8874 0.5876 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -0.7464 1.1656 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 2 0 9 4 1 0 20 10 1 0 3 21 1 0 3 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 11 28 1 0 13 29 1 0 15 30 1 0 20 31 1 0 M CHG 2 17 1 19 -1 M END