HMDB0001849 RDKit 3D Propranolol 40 41 0 0 0 0 0 0 0 0999 V2000 5.2942 0.8591 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -0.4524 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 -1.2816 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2421 -0.4330 -0.5248 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4741 0.0896 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0004 -0.0012 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -1.3878 -0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 0.3869 1.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 0.1213 1.0438 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1239 0.5425 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9222 1.4767 -0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 1.8564 -1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 1.2870 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4196 0.3562 -0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6969 -0.2092 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9085 -1.1394 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9303 -1.5236 1.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6889 -0.9404 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -0.0005 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2174 0.6571 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 1.5341 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6889 1.3355 -0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7436 -1.0378 0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 -2.0493 -1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 -0.5913 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2176 -1.7610 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 0.0261 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 -0.5177 1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 1.1269 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 0.6226 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -1.5821 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1862 1.5027 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 -0.0580 2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 1.9721 -0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 2.5906 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9444 1.5810 -2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 0.1227 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9003 -1.5896 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1062 -2.2631 2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8871 -1.2281 1.8517 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 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 10 1 0 19 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 M END