HMDB0014619 RDKit 3D Duloxetine 40 42 0 0 0 0 0 0 0 0999 V2000 -3.6753 -2.2486 0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 -2.2362 0.5064 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 -1.3648 1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1259 0.0906 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 0.4838 0.0381 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0234 0.3602 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -0.3704 -0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -1.1745 -1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -1.9012 -2.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 -1.8180 -1.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -1.0114 -0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -0.9208 -0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -0.1212 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9802 0.6018 1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6722 0.5003 0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 -0.3101 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6409 1.9233 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1165 3.0513 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5336 4.2327 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4514 4.2100 -1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7006 2.5445 -1.4876 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 -2.1402 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0276 -3.2097 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9777 -1.4362 -0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 -3.2072 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7787 -1.4756 1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -1.6921 2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2176 0.1852 1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8386 0.7398 2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -0.1117 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 -1.2691 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -2.5266 -3.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 -2.3865 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 -1.5152 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9718 -0.0670 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 1.2190 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 1.0838 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3705 2.9922 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 5.2252 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9102 5.0706 -1.7504 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 5 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 16 7 1 0 21 17 1 0 16 11 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 6 8 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 M END