HMDB0015345 RDKit 3D Metipranolol 49 49 0 0 0 0 0 0 0 0999 V2000 -7.0307 -1.4250 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6771 -0.9640 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3547 -1.0336 1.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7459 -0.4615 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4812 -0.0206 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4216 -0.8888 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 -2.2909 -0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1264 -0.4753 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9215 0.8487 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 1.2775 0.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 0.4223 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 1.1443 0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 2.2067 -0.0161 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 0.2498 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -0.2332 -0.4447 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -1.0939 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6878 -0.4576 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2301 -2.3891 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 1.7129 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 3.1147 0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2929 1.2884 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4043 2.2725 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7329 -1.0812 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0577 -2.5348 -0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3582 -1.0264 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1653 -2.7864 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 -2.3578 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 -2.8157 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3214 -1.1800 -0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 0.0440 -0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -0.4355 1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5837 1.4893 1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 2.6496 -0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 -0.5742 1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 0.8564 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4404 -0.6157 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4673 -1.3393 -1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6328 0.2603 0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 0.0367 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -1.2681 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 -2.5812 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -2.3788 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 -3.2430 -0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4667 3.3048 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 3.2969 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1016 3.8381 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3205 1.8768 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1099 3.2436 -0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6723 2.5173 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 9 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 21 5 1 0 1 23 1 0 1 24 1 0 1 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 20 44 1 0 20 45 1 0 20 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 M END