HMDB0250779 RDKit 3D Dexnebivolol 54 57 0 0 0 0 0 0 0 0999 V2000 2.3985 1.7435 1.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 0.9755 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 0.5850 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 1.7868 -0.4128 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2715 1.5487 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 1.0961 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6165 2.1176 1.7184 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3279 0.8665 0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 2.0939 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 1.7849 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 0.3861 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2293 0.0552 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6127 -1.2383 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9519 -1.5331 -0.5502 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.6525 -2.2086 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3194 -1.8794 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -0.5806 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.1846 -0.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 -0.2954 0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2808 -1.1141 -1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 -1.0345 -1.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7381 -1.2877 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7971 -2.0764 -1.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7601 -2.2482 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8460 -3.0184 -0.3170 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6519 -1.6524 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 -0.8599 1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6139 -0.6829 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4729 0.0942 0.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 2.6885 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 1.5387 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6715 0.0103 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8696 -0.0651 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 2.4419 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 2.4740 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 0.7980 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 0.2177 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 1.6769 2.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7045 0.5785 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7531 2.4019 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 2.8920 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0133 2.4220 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1106 2.0651 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9797 0.8239 -0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9453 -3.2221 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5154 -2.6056 -0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7368 -0.9296 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0252 -2.1685 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 -0.6819 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7857 -0.0469 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6843 -1.8247 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 -2.5673 -2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 -1.7845 1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4439 -0.3725 2.4059 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 2 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 18 8 1 0 29 19 1 0 17 11 1 0 28 22 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 12 44 1 0 15 45 1 0 16 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 23 52 1 0 26 53 1 0 27 54 1 0 M END