HMDB0060961 RDKit 3D N-desisopropylpropranolol 31 32 0 0 0 0 0 0 0 0999 V2000 -4.3926 -0.3776 0.9096 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2309 0.0375 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 0.6446 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 1.7453 0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 -0.3951 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 0.2314 -0.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 -0.4307 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6273 -1.7441 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -2.4171 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9969 -1.7341 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 -0.4129 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 0.2661 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 1.5804 -0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 2.2387 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8829 1.5687 -0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 0.2537 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -1.3592 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 -0.0751 1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3515 -0.8048 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9716 0.8319 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7137 0.9874 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6438 2.1458 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 -0.7196 0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8977 -1.2913 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 -2.2946 0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -3.4481 0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 -2.2158 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -0.2731 -0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 2.1029 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 3.2669 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 2.0921 -1.0345 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 3 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 16 7 1 0 16 11 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 M END