HMDB0259050 RDKit 3D THURFYL NICOTINATE 28 29 0 0 0 0 0 0 0 0999 V2000 0.4340 0.6943 1.7401 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0527 -0.0617 0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 -1.0446 0.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -1.2556 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 -0.0785 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 -0.5580 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 0.5202 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 1.1320 -1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 0.2852 -1.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 0.0668 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 -0.7728 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4582 -0.6337 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1286 0.3657 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 1.2097 1.1123 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2047 1.0631 1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2912 -1.5296 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3296 -2.1056 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8073 0.7799 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7278 -0.6268 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 -1.5102 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4626 1.2470 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 0.1219 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 2.1241 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0328 1.2108 -2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 -1.5588 -0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9935 -1.2823 -1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1766 0.4964 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 1.7011 2.0027 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 1 0 8 9 1 0 2 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 9 5 1 0 15 10 1 0 4 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 15 28 1 0 M END