HMDB0246516 RDKit 3D 4-Methylpropranolol 43 44 0 0 0 0 0 0 0 0999 V2000 -6.0540 -0.7862 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 -0.6787 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8326 -1.6379 1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4722 -1.4913 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 -0.4020 0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 -0.2772 0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.1804 0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 -1.3510 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 -2.4779 0.9796 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -1.0458 0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 0.1301 -0.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7005 0.5997 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 1.0056 1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -0.3577 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 0.5398 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 1.6152 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6632 2.5621 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 2.4264 -1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6653 1.3492 -0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9318 0.3922 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6034 -0.0100 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4134 -1.7691 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4167 -0.7015 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3724 -2.4670 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8745 -2.2415 1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2758 0.7430 0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 -0.2203 2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -1.3473 -0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 -2.2857 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6502 -1.9417 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 -0.8699 1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8848 0.2218 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 1.5239 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6495 0.5406 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 0.8533 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0254 2.1161 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 0.2569 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.1255 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2043 -0.7626 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 1.7251 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1981 3.4236 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 3.1831 -1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7462 1.2206 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 5 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 2 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 4 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 M END