HMDB0059846 RDKit 3D Ethyl nicotinate 20 20 0 0 0 0 0 0 0 0999 V2000 -3.3090 0.0047 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6201 -0.5359 0.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 -0.7020 0.6645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 0.3786 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 1.5006 0.2403 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 0.2826 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 -0.9131 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0124 -0.9502 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7426 0.1794 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 1.3387 -0.4047 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 1.3962 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2406 1.1138 -0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 -0.4071 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -0.2803 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 0.2679 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0971 -1.4513 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 -1.8070 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -1.9005 0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 0.1275 -0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 2.3574 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 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 6 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 7 17 1 0 8 18 1 0 9 19 1 0 11 20 1 0 M END